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137711-45-6 | Benzenecarboximidic acid, N-hydroxy-3-nitro-, methyl ester
CAS No: 137711-45-6 Catalog No: AG0013RC MDL No:
Product Description
Catalog Number:
AG0013RC
Chemical Name:
Benzenecarboximidic acid, N-hydroxy-3-nitro-, methyl ester
CAS Number:
137711-45-6
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
IUPAC Name:
methyl N-hydroxy-3-nitrobenzenecarboximidate
InChI:
InChI=1S/C8H8N2O4/c1-14-8(9-11)6-3-2-4-7(5-6)10(12)13/h2-5,11H,1H3
InChI Key:
XFAUFGPUALGSHY-UHFFFAOYSA-N
SMILES:
COC(=NO)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
236
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:
5
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:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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