Cas no 1092307-34-0 (3-amino-5-chloro-4-methylbenzoic Acid)
1092307-34-0 structure
Product Name:3-amino-5-chloro-4-methylbenzoic Acid
CAS No:1092307-34-0
MF:C8H8ClNO2
MW:185.607621192932
CID:1187059
PubChem ID:33779468
Update Time:2025-04-20
3-amino-5-chloro-4-methylbenzoic Acid Chemical and Physical Properties
Names and Identifiers
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- 3-Amino-5-chloro-4-methylbenzoic acid
- STL387822
- DTXSID901287868
- DB-348069
- AKOS000428211
- AP-970/43482578
- SCHEMBL1936829
- 1092307-34-0
- 3-amino-5-chloro-4-methylbenzoic Acid
-
- Inchi： 1S/C8H8ClNO2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,10H2,1H3,(H,11,12)
- InChI Key： WAIOKGUYCTWISY-UHFFFAOYSA-N
- SMILES： ClC1=CC(C(=O)O)=CC(=C1C)N
Computed Properties
- Exact Mass: 185.0243562g/mol
- Monoisotopic Mass: 185.0243562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 186
- 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: 1.8
- Topological Polar Surface Area: 63.3?2
3-amino-5-chloro-4-methylbenzoic Acid Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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