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16133-49-6 | Benzenamine, 5-methoxy-2-nitro-
CAS No: 16133-49-6 Catalog No: AG001SDA MDL No:MFCD00179573
Product Description
Catalog Number:
AG001SDA
Chemical Name:
Benzenamine, 5-methoxy-2-nitro-
CAS Number:
16133-49-6
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD00179573
IUPAC Name:
5-methoxy-2-nitroaniline
InChI:
InChI=1S/C7H8N2O3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3
InChI Key:
QEHVRGACCVLLNN-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)N)[N+](=O)[O-]
EC Number:
240-293-4
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:
1.9
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