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Home > Nitro Compounds > 85-45-0
85-45-0 | 3-nitro-o-anisidine
CAS No: 85-45-0 Catalog No: AG00GIXX MDL No:MFCD18389894
Product Description
Catalog Number:
AG00GIXX
Chemical Name:
3-nitro-o-anisidine
CAS Number:
85-45-0
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD18389894
IUPAC Name:
2-methoxy-3-nitroaniline
InChI:
InChI=1S/C7H8N2O3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,8H2,1H3
InChI Key:
GVBUHJSIDPIOBZ-UHFFFAOYSA-N
SMILES:
COc1c(N)cccc1[N+](=O)[O-]
EC Number:
201-608-0
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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