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Also known as: 796848-80-1, Phenyl (2-chloro-4-hydroxyphenyl)carbamate, Phenyl 2-chloro-4-hydroxyphenylcarbamate, Carbamic acid, (2-chloro-4-hydroxyphenyl)-, phenyl ester, Schembl1322757, Dtxsid10460979
Molecular Formula
C13H10ClNO3
Molecular Weight
263.67  g/mol
InChI Key
LBDLNHLYEKFAHH-UHFFFAOYSA-N

CAS 796848-80-1
1 2D Structure

CAS 796848-80-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
phenyl N-(2-chloro-4-hydroxyphenyl)carbamate
2.1.2 InChI
InChI=1S/C13H10ClNO3/c14-11-8-9(16)6-7-12(11)15-13(17)18-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)
2.1.3 InChI Key
LBDLNHLYEKFAHH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)OC(=O)NC2=C(C=C(C=C2)O)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 796848-80-1

2. Phenyl (2-chloro-4-hydroxyphenyl)carbamate

3. Phenyl 2-chloro-4-hydroxyphenylcarbamate

4. Carbamic Acid, (2-chloro-4-hydroxyphenyl)-, Phenyl Ester

5. Schembl1322757

6. Dtxsid10460979

7. Lbdlnhlyekfahh-uhfffaoysa-n

8. Akos014117348

9. Ac-33716

10. Phenyl(2-chloro-4-hydroxyphenyl)carbamate

11. Cs-0168591

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 263.67 g/mol
Molecular Formula C13H10ClNO3
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area58.6
Heavy Atom Count18
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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