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101937-67-1 | Cyclohexanecarboxylic acid, 2-[[(4-chlorophenyl)amino]carbonyl]-
CAS No: 101937-67-1 Catalog No: AG00060I MDL No:MFCD00590283
Product Description
Catalog Number:
AG00060I
Chemical Name:
Cyclohexanecarboxylic acid, 2-[[(4-chlorophenyl)amino]carbonyl]-
CAS Number:
101937-67-1
Molecular Formula:
C14H16ClNO3
Molecular Weight:
281.7347
MDL Number:
MFCD00590283
IUPAC Name:
2-[(4-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H16ClNO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8,11-12H,1-4H2,(H,16,17)(H,18,19)
InChI Key:
CANPECYEYBATAJ-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1C(=O)O)Nc1ccc(cc1)Cl
NSC Number:
164137
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.736g/mol
Monoisotopic Mass:
281.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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