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1365272-82-7 | [1,1'-Biphenyl]-4-carboxylic acid, 3,3'-difluoro-5'-methoxy-
CAS No: 1365272-82-7 Catalog No: AG00120U MDL No:MFCD21609598
Product Description
Catalog Number:
AG00120U
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3,3'-difluoro-5'-methoxy-
CAS Number:
1365272-82-7
Molecular Formula:
C14H10F2O3
Molecular Weight:
264.2242
MDL Number:
MFCD21609598
IUPAC Name:
2-fluoro-4-(3-fluoro-5-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C14H10F2O3/c1-19-11-5-9(4-10(15)7-11)8-2-3-12(14(17)18)13(16)6-8/h2-7H,1H3,(H,17,18)
InChI Key:
HCSMPIWFTAVDJH-UHFFFAOYSA-N
SMILES:
COc1cc(F)cc(c1)c1ccc(c(c1)F)C(=O)O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.06g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.228g/mol
Monoisotopic Mass:
264.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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