Cas no 943324-29-6 (1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-bromo-1-(phenylsulfonyl)-)
943324-29-6 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-bromo-1-(phenylsulfonyl)-
CAS No:943324-29-6
MF:C14H9BrN2O4S
MW:381.201261281967
CID:832942
PubChem ID:49758982
Update Time:2025-04-19
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-bromo-1-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-bromo-1-(phenylsulfonyl)-
- 2-phenyl-4,5,6,7-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-3-one
- 2-Phenyl-2,3a,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one
- 4-bromo-2-(3-furanyl)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
- 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid,4-bromo-1-(phenylsulfonyl)-
- SCHEMBL4582533
- 943324-29-6
-
- Inchi: 1S/C14H9BrN2O4S/c15-11-6-7-16-13-12(11)10(14(18)19)8-17(13)22(20,21)9-4-2-1-3-5-9/h1-8H,(H,18,19)
- InChI Key: FJQJHNYSRPWVSZ-UHFFFAOYSA-N
- SMILES: BrC1C=CN=C2C=1C(C(=O)O)=CN2S(C1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 379.94700
- Monoisotopic Mass: 379.947
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 320
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 0.6
- Topological Polar Surface Area: 97.6A^2
Experimental Properties
- Density: 1.76
- Boiling Point: 627.8°C at 760 mmHg
- Flash Point: 333.5°C
- Refractive Index: 1.724
- PSA: 97.64000
- LogP: 3.81480
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-bromo-1-(phenylsulfonyl)- Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-bromo-1-(phenylsulfonyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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