Benzaldehyde, 2-amino-3-nitro-


Chemical Name: Benzaldehyde, 2-amino-3-nitro-
CAS Number: 97271-97-1
Product Number: AG00IJXA(AGN-PC-00MI2R)
Synonyms:
MDL No:
Molecular Formula: C7H6N2O3
Molecular Weight: 166.1341

Identification/Properties


Computed Properties
Molecular Weight:
166.136g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
166.038g/mol
Monoisotopic Mass:
166.038g/mol
Topological Polar Surface Area:
88.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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