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817177-03-0 | Benzoic acid, 2-chloro-, compd. with N-cyclohexylcyclohexanamine(1:1)
CAS No: 817177-03-0 Catalog No: AG00518V MDL No:
Product Description
Catalog Number:
AG00518V
Chemical Name:
Benzoic acid, 2-chloro-, compd. with N-cyclohexylcyclohexanamine(1:1)
CAS Number:
817177-03-0
Molecular Formula:
C19H28ClNO2
Molecular Weight:
337.8841
IUPAC Name:
2-chlorobenzoic acid;N-cyclohexylcyclohexanamine
InChI:
InChI=1S/C12H23N.C7H5ClO2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;8-6-4-2-1-3-5(6)7(9)10/h11-13H,1-10H2;1-4H,(H,9,10)
InChI Key:
MITCEDXKXWWNJW-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.OC(=O)c1ccccc1Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.181g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.888g/mol
Monoisotopic Mass:
337.181g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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