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Home > Nitro Compounds > 52177-09-0
52177-09-0 | N-ethyl-3-methyl-4-nitroaniline
CAS No: 52177-09-0 Catalog No: AG01AYN9 MDL No:MFCD12169126
Product Description
Catalog Number:
AG01AYN9
Chemical Name:
N-ethyl-3-methyl-4-nitroaniline
CAS Number:
52177-09-0
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD12169126
IUPAC Name:
N-ethyl-3-methyl-4-nitroaniline
InChI:
InChI=1S/C9H12N2O2/c1-3-10-8-4-5-9(11(12)13)7(2)6-8/h4-6,10H,3H2,1-2H3
InChI Key:
OBINZXFYJFGKBK-UHFFFAOYSA-N
SMILES:
CCNc1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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