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1261958-60-4 | [1,1'-Biphenyl]-3-carboxylic acid, 4-chloro-2'-formyl-
CAS No: 1261958-60-4 Catalog No: AG000S8E MDL No:MFCD18319191
Product Description
Catalog Number:
AG000S8E
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4-chloro-2'-formyl-
CAS Number:
1261958-60-4
Molecular Formula:
C14H9ClO3
Molecular Weight:
260.6725
MDL Number:
MFCD18319191
IUPAC Name:
2-chloro-5-(2-formylphenyl)benzoic acid
InChI:
InChI=1S/C14H9ClO3/c15-13-6-5-9(7-12(13)14(17)18)11-4-2-1-3-10(11)8-16/h1-8H,(H,17,18)
InChI Key:
XPLXDQAOUPATME-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1c1ccc(c(c1)C(=O)O)Cl
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.673g/mol
Monoisotopic Mass:
260.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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