Cas no 5167-80-6 ((4-chlorophenyl)-carbamic acid)
5167-80-6 structure
Product Name:(4-chlorophenyl)-carbamic acid
CAS No:5167-80-6
MF:C7H6ClNO2
MW:171.581040859222
CID:2035063
PubChem ID:14389527
Update Time:2025-04-21
(4-chlorophenyl)-carbamic acid Chemical and Physical Properties
Names and Identifiers
-
- (4-chlorophenyl)-carbamic acid
- 4-Chlor-phenylcarbamidsaeure
- 4-chlorophenyl carbamic acid
- 4-chlorophenylisocyanic acid
- 5167-80-6
- DB-159040
- SCHEMBL1507740
- p-Chlorphenylcarbaminsaure
- n-(4-chlorophenyl)carbamic acid
-
- Inchi： 1S/C7H6ClNO2/c8-5-1-3-6(4-2-5)9-7(10)11/h1-4,9H,(H,10,11)
- InChI Key： GAWCRULEMQFHTI-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)NC(=O)O
Computed Properties
- Exact Mass: 171.0087061Da
- Monoisotopic Mass: 171.0087061Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 143
- 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: 2.2
- Topological Polar Surface Area: 49.3?2
(4-chlorophenyl)-carbamic acid Related Literature
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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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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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