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Home > Fluorides > 1289005-85-1
1289005-85-1 | Benzoic acid, 3-fluoro-5-formyl-
CAS No: 1289005-85-1 Catalog No: AG000YH2 MDL No:MFCD22544368
Product Description
Catalog Number:
AG000YH2
Chemical Name:
Benzoic acid, 3-fluoro-5-formyl-
CAS Number:
1289005-85-1
Molecular Formula:
C8H5FO3
Molecular Weight:
168.1219
MDL Number:
MFCD22544368
IUPAC Name:
3-fluoro-5-formylbenzoic acid
InChI:
InChI=1S/C8H5FO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-4H,(H,11,12)
InChI Key:
OZEBHMHUZNPCME-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)cc(c1)C(=O)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.123g/mol
Monoisotopic Mass:
168.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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