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1261945-47-4 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-cyano-
CAS No: 1261945-47-4 Catalog No: AG000S83 MDL No:MFCD18319161
Product Description
Catalog Number:
AG000S83
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-cyano-
CAS Number:
1261945-47-4
Molecular Formula:
C14H8ClNO2
Molecular Weight:
257.6718
MDL Number:
MFCD18319161
IUPAC Name:
2-chloro-4-(4-cyanophenyl)benzoic acid
InChI:
InChI=1S/C14H8ClNO2/c15-13-7-11(5-6-12(13)14(17)18)10-3-1-9(8-16)2-4-10/h1-7H,(H,17,18)
InChI Key:
AFHPJWJSDUYNJK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.673g/mol
Monoisotopic Mass:
257.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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