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Home > Fluorides > 1261605-93-9
1261605-93-9 | 4-(Difluoromethyl)-1-methyl-2-nitrobenzene
CAS No: 1261605-93-9 Catalog No: AG01F2JD MDL No:
Product Description
Catalog Number:
AG01F2JD
Chemical Name:
4-(Difluoromethyl)-1-methyl-2-nitrobenzene
CAS Number:
1261605-93-9
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
IUPAC Name:
4-(difluoromethyl)-1-methyl-2-nitrobenzene
InChI:
InChI=1S/C8H7F2NO2/c1-5-2-3-6(8(9)10)4-7(5)11(12)13/h2-4,8H,1H3
InChI Key:
VXDNVOQSZZQZLO-UHFFFAOYSA-N
SMILES:
FC(c1ccc(c(c1)[N+](=O)[O-])C)F
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.146g/mol
Monoisotopic Mass:
187.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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