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123343-96-4 | Benzenamine, 4-methoxy-2-methyl-5-nitro-
CAS No: 123343-96-4 Catalog No: AG000KF4 MDL No:
Product Description
Catalog Number:
AG000KF4
Chemical Name:
Benzenamine, 4-methoxy-2-methyl-5-nitro-
CAS Number:
123343-96-4
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
4-methoxy-2-methyl-5-nitroaniline
InChI:
InChI=1S/C8H10N2O3/c1-5-3-8(13-2)7(10(11)12)4-6(5)9/h3-4H,9H2,1-2H3
InChI Key:
UKOJKBPYZLLFOL-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1[N+](=O)[O-])N
Properties
Complexity:
192
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:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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