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79562-49-5 | 1,3-Difluoro-2-methyl-4-nitrobenzene
CAS No: 79562-49-5 Catalog No: AG00585N MDL No:MFCD11519030
Product Description
Catalog Number:
AG00585N
Chemical Name:
1,3-Difluoro-2-methyl-4-nitrobenzene
CAS Number:
79562-49-5
Molecular Formula:
C7H5F2NO2
Molecular Weight:
173.1169
MDL Number:
MFCD11519030
IUPAC Name:
1,3-difluoro-2-methyl-4-nitrobenzene
InChI:
InChI=1S/C7H5F2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3
InChI Key:
AVWNNVJXXMKAPB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1F)C)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:
173.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.119g/mol
Monoisotopic Mass:
173.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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