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Home > Nitro Compounds > 502178-78-1
502178-78-1 | N-ethyl-5-methyl-2-nitroaniline
CAS No: 502178-78-1 Catalog No: AG01AWA3 MDL No:MFCD23725901
Product Description
Catalog Number:
AG01AWA3
Chemical Name:
N-ethyl-5-methyl-2-nitroaniline
CAS Number:
502178-78-1
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD23725901
IUPAC Name:
N-ethyl-5-methyl-2-nitroaniline
InChI:
InChI=1S/C9H12N2O2/c1-3-10-8-6-7(2)4-5-9(8)11(12)13/h4-6,10H,3H2,1-2H3
InChI Key:
HEARVZFZEZXEEW-UHFFFAOYSA-N
SMILES:
CCNc1cc(C)ccc1[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
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