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1261970-90-4 | [1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-4'-formyl-
CAS No: 1261970-90-4 Catalog No: AG000SA8 MDL No:MFCD18319244
Product Description
Catalog Number:
AG000SA8
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-4'-formyl-
CAS Number:
1261970-90-4
Molecular Formula:
C14H9FO3
Molecular Weight:
244.2179
MDL Number:
MFCD18319244
IUPAC Name:
2-fluoro-4-(4-formylphenyl)benzoic acid
InChI:
InChI=1S/C14H9FO3/c15-13-7-11(5-6-12(13)14(17)18)10-3-1-9(8-16)2-4-10/h1-8H,(H,17,18)
InChI Key:
CRKGWMVUUGIOPM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccc(c(c1)F)C(=O)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.221g/mol
Monoisotopic Mass:
244.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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