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Home > Nitro Compounds > 10439-77-7
10439-77-7 | N,2-Dimethyl-4-nitroaniline
CAS No: 10439-77-7 Catalog No: AG003T6X MDL No:MFCD00059083
Product Description
Catalog Number:
AG003T6X
Chemical Name:
N,2-Dimethyl-4-nitroaniline
CAS Number:
10439-77-7
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD00059083
IUPAC Name:
N,2-dimethyl-4-nitroaniline
InChI:
InChI=1S/C8H10N2O2/c1-6-5-7(10(11)12)3-4-8(6)9-2/h3-5,9H,1-2H3
InChI Key:
NJYYBTRBCMPYCJ-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1C)[N+](=O)[O-]
Properties
Complexity:
167
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:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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