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Home > Nitro Compounds > 6972-71-0
6972-71-0 | 4,5-Dimethyl-2-nitroaniline
CAS No: 6972-71-0 Catalog No: AG003KID MDL No:MFCD00007811
Product Description
Catalog Number:
AG003KID
Chemical Name:
4,5-Dimethyl-2-nitroaniline
CAS Number:
6972-71-0
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD00007811
IUPAC Name:
4,5-dimethyl-2-nitroaniline
InChI:
InChI=1S/C8H10N2O2/c1-5-3-7(9)8(10(11)12)4-6(5)2/h3-4H,9H2,1-2H3
InChI Key:
PINGKGKKUSYUAW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c(cc1N)C
EC Number:
230-211-5
UNII:
O1U4USE3TJ
NSC Number:
62010
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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