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Home > Fluorides > 872367-64-1
872367-64-1 | 3,5-Difluoro-N-methyl-2-nitroaniline
CAS No: 872367-64-1 Catalog No: AG01EY12 MDL No:MFCD22042466
Product Description
Catalog Number:
AG01EY12
Chemical Name:
3,5-Difluoro-N-methyl-2-nitroaniline
CAS Number:
872367-64-1
Molecular Formula:
C7H6F2N2O2
Molecular Weight:
188.1315
MDL Number:
MFCD22042466
IUPAC Name:
3,5-difluoro-N-methyl-2-nitroaniline
InChI:
InChI=1S/C7H6F2N2O2/c1-10-6-3-4(8)2-5(9)7(6)11(12)13/h2-3,10H,1H3
InChI Key:
HJKZGKMJUUPEGQ-UHFFFAOYSA-N
SMILES:
CNc1cc(F)cc(c1[N+](=O)[O-])F
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.134g/mol
Monoisotopic Mass:
188.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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