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1261938-19-5 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-3-chloro-
CAS No: 1261938-19-5 Catalog No: AG000S7C MDL No:MFCD18320140
Product Description
Catalog Number:
AG000S7C
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-3-chloro-
CAS Number:
1261938-19-5
Molecular Formula:
C15H11ClO3
Molecular Weight:
274.6990
MDL Number:
MFCD18320140
IUPAC Name:
4-(4-acetylphenyl)-2-chlorobenzoic acid
InChI:
InChI=1S/C15H11ClO3/c1-9(17)10-2-4-11(5-3-10)12-6-7-13(15(18)19)14(16)8-12/h2-8H,1H3,(H,18,19)
InChI Key:
UETBZAAXXXTMFP-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.04g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.7g/mol
Monoisotopic Mass:
274.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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