Cas no 139937-38-5 (Glycine, N-[(4-bromo-2-methylphenyl)sulfonyl]-)
139937-38-5 structure
Product Name:Glycine, N-[(4-bromo-2-methylphenyl)sulfonyl]-
CAS No:139937-38-5
MF:C9H10BrNO4S
MW:308.149000644684
CID:1291134
PubChem ID:71343115
Update Time:2025-04-20
Glycine, N-[(4-bromo-2-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Glycine, N-[(4-bromo-2-methylphenyl)sulfonyl]-
- 2-[(4-bromo-2-methylphenyl)sulfonylamino]acetic acid
- DTXSID00769766
- N-(4-Bromo-2-methylbenzene-1-sulfonyl)glycine
- 139937-38-5
-
- Inchi: 1S/C9H10BrNO4S/c1-6-4-7(10)2-3-8(6)16(14,15)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
- InChI Key: TWUIBHIUIGZMQV-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=C(C)C=1)S(NCC(=O)O)(=O)=O
Computed Properties
- Exact Mass: 306.9514
- Monoisotopic Mass: 306.95139g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 351
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 91.8?2
Experimental Properties
- PSA: 83.47
Glycine, N-[(4-bromo-2-methylphenyl)sulfonyl]- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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