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Home > Nitro Compounds > 62726-03-8
62726-03-8 | Benzamide, 2-methoxy-4-nitro-
CAS No: 62726-03-8 Catalog No: AG00IB2R MDL No:MFCD12913504
Product Description
Catalog Number:
AG00IB2R
Chemical Name:
Benzamide, 2-methoxy-4-nitro-
CAS Number:
62726-03-8
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD12913504
IUPAC Name:
2-methoxy-4-nitrobenzamide
InChI:
InChI=1S/C8H8N2O4/c1-14-7-4-5(10(12)13)2-3-6(7)8(9)11/h2-4H,1H3,(H2,9,11)
InChI Key:
RBUYIBAYLUAHRQ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C(=O)N)[N+](=O)[O-]
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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