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116373-55-8 | Carbamic acid, (3-chlorophenyl)-, cyclohexyl ester (9CI)
CAS No: 116373-55-8 Catalog No: AG000CCN MDL No:
Product Description
Catalog Number:
AG000CCN
Chemical Name:
Carbamic acid, (3-chlorophenyl)-, cyclohexyl ester (9CI)
CAS Number:
116373-55-8
Molecular Formula:
C13H16ClNO2
Molecular Weight:
253.7246
IUPAC Name:
cyclohexyl N-(3-chlorophenyl)carbamate
InChI:
InChI=1S/C13H16ClNO2/c14-10-5-4-6-11(9-10)15-13(16)17-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,15,16)
InChI Key:
ILBAXXVDXITICM-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)Cl)OC1CCCCC1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.726g/mol
Monoisotopic Mass:
253.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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