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Home > Aldehydes > 130133-53-8
130133-53-8 | Benzaldehyde, 2-amino-6-nitro-
CAS No: 130133-53-8 Catalog No: AG000U1T MDL No:
Product Description
Catalog Number:
AG000U1T
Chemical Name:
Benzaldehyde, 2-amino-6-nitro-
CAS Number:
130133-53-8
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
IUPAC Name:
2-amino-6-nitrobenzaldehyde
InChI:
InChI=1S/C7H6N2O3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-4H,8H2
InChI Key:
HACOHMHYAQXUOL-UHFFFAOYSA-N
SMILES:
O=Cc1c(N)cccc1[N+](=O)[O-]
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.136g/mol
Monoisotopic Mass:
166.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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