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1261915-64-3 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-[(dimethylamino)carbonyl]-
CAS No: 1261915-64-3 Catalog No: AG000S61 MDL No:MFCD18321988
Product Description
Catalog Number:
AG000S61
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-[(dimethylamino)carbonyl]-
CAS Number:
1261915-64-3
Molecular Formula:
C16H14ClNO3
Molecular Weight:
303.7403
MDL Number:
MFCD18321988
IUPAC Name:
2-chloro-4-[4-(dimethylcarbamoyl)phenyl]benzoic acid
InChI:
InChI=1S/C16H14ClNO3/c1-18(2)15(19)11-5-3-10(4-6-11)12-7-8-13(16(20)21)14(17)9-12/h3-9H,1-2H3,(H,20,21)
InChI Key:
YZDCJNKVOIMOSA-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.742g/mol
Monoisotopic Mass:
303.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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