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Home > Nitro Compounds > 1157074-12-8
1157074-12-8 | N-ethyl-2-methyl-3-nitroaniline
CAS No: 1157074-12-8 Catalog No: AG01AXIO MDL No:MFCD12147862
Product Description
Catalog Number:
AG01AXIO
Chemical Name:
N-ethyl-2-methyl-3-nitroaniline
CAS Number:
1157074-12-8
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD12147862
IUPAC Name:
N-ethyl-2-methyl-3-nitroaniline
InChI:
InChI=1S/C9H12N2O2/c1-3-10-8-5-4-6-9(7(8)2)11(12)13/h4-6,10H,3H2,1-2H3
InChI Key:
XFDKEOILEQIBKF-UHFFFAOYSA-N
SMILES:
CCNc1cccc(c1C)[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:
2.5
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