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1261981-60-5 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-(1-piperidinylcarbonyl)-
CAS No: 1261981-60-5 Catalog No: AG000SAQ MDL No:MFCD18323035
Product Description
Catalog Number:
AG000SAQ
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-(1-piperidinylcarbonyl)-
CAS Number:
1261981-60-5
Molecular Formula:
C19H18ClNO3
Molecular Weight:
343.8041
MDL Number:
MFCD18323035
IUPAC Name:
2-chloro-4-[4-(piperidine-1-carbonyl)phenyl]benzoic acid
InChI:
InChI=1S/C19H18ClNO3/c20-17-12-15(8-9-16(17)19(23)24)13-4-6-14(7-5-13)18(22)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,23,24)
InChI Key:
HWKPSGZBLYDWBT-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O)N1CCCCC1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.098g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.807g/mol
Monoisotopic Mass:
343.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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