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948777-86-4 | 3,4-Difluoro-N-methylbenzamide
CAS No: 948777-86-4 Catalog No: AG01EZKV MDL No:
Product Description
Catalog Number:
AG01EZKV
Chemical Name:
3,4-Difluoro-N-methylbenzamide
CAS Number:
948777-86-4
Molecular Formula:
C8H7F2NO
Molecular Weight:
171.1441
IUPAC Name:
3,4-difluoro-N-methylbenzamide
InChI:
InChI=1S/C8H7F2NO/c1-11-8(12)5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)
InChI Key:
HQBRGWPNIBPNHR-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc(c(c1)F)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.147g/mol
Monoisotopic Mass:
171.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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