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Home > Nitro Compounds > 1017782-97-6
1017782-97-6 | 3-methoxy-N-methyl-4-nitroaniline
CAS No: 1017782-97-6 Catalog No: AG00IXH4 MDL No:MFCD09972263
Product Description
Catalog Number:
AG00IXH4
Chemical Name:
3-methoxy-N-methyl-4-nitroaniline
CAS Number:
1017782-97-6
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD09972263
IUPAC Name:
3-methoxy-N-methyl-4-nitroaniline
InChI:
InChI=1S/C8H10N2O3/c1-9-6-3-4-7(10(11)12)8(5-6)13-2/h3-5,9H,1-2H3
InChI Key:
AENGNOMTDAOEGY-UHFFFAOYSA-N
SMILES:
COc1cc(NC)ccc1[N+](=O)[O-]
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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