Cas no 1173019-28-7 ([13C6]-4-Chlorobenzoic acid)
![[13C6]-4-Chlorobenzoic acid structure](https://ossimg.kuujia.com/scimg/1173500/1173019-28-7x500.png)
[13C6]-4-Chlorobenzoic acid structure
Product Name:[13C6]-4-Chlorobenzoic acid
CAS No:1173019-28-7
MF:C7H5ClO2
MW:162.5223300457
CID:1069883
PubChem ID:49849347
Update Time:2025-04-20
[13C6]-4-Chlorobenzoic acid Chemical and Physical Properties
Names and Identifiers
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- [13C6]-4-Chlorobenzoic acid
- 4-Chlorobenzoic acid
- 1173019-28-7
- 4-Chloro(~13~C_6_)benzoic acid
- 4-Chlorobenzoic acid-(phenyl-13C6), 99 atom % 13C, 98% (CP)
- 4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
- DTXSID30678655
-
- Inchi： 1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1
- InChI Key： XRHGYUZYPHTUJZ-IDEBNGHGSA-N
- SMILES： Cl[13C]1[13CH]=[13CH][13C](C(=O)O)=[13CH][13CH]=1
Computed Properties
- Exact Mass: 162.0179361g/mol
- Monoisotopic Mass: 162.0179361g/mol
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 128
- 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: 2.7
- Topological Polar Surface Area: 37.3?2
[13C6]-4-Chlorobenzoic acid Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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