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Home > Fluorides > 1018678-48-2
1018678-48-2 | Benzoic acid, 2-(difluoromethyl)-, methyl ester
CAS No: 1018678-48-2 Catalog No: AG0005S3 MDL No:MFCD16140192
Product Description
Catalog Number:
AG0005S3
Chemical Name:
Benzoic acid, 2-(difluoromethyl)-, methyl ester
CAS Number:
1018678-48-2
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
MDL Number:
MFCD16140192
IUPAC Name:
methyl 2-(difluoromethyl)benzoate
InChI:
InChI=1S/C9H8F2O2/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5,8H,1H3
InChI Key:
KGOFBYAEKGHAQG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1C(F)F
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.158g/mol
Monoisotopic Mass:
186.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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