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Home > Fluorides > 1242070-98-9
1242070-98-9 | Benzoic acid, 2,6-difluoro-4-formyl-
CAS No: 1242070-98-9 Catalog No: AG000LO6 MDL No:MFCD17011991
Product Description
Catalog Number:
AG000LO6
Chemical Name:
Benzoic acid, 2,6-difluoro-4-formyl-
CAS Number:
1242070-98-9
Molecular Formula:
C8H4F2O3
Molecular Weight:
186.1124
MDL Number:
MFCD17011991
IUPAC Name:
2,6-difluoro-4-formylbenzoic acid
InChI:
InChI=1S/C8H4F2O3/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-3H,(H,12,13)
InChI Key:
KUZZMQQMBLSIOJ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)c(c(c1)F)C(=O)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.114g/mol
Monoisotopic Mass:
186.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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