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Home > Aldehydes > 102170-39-8
102170-39-8 | Benzaldehyde, 4-amino-2-nitro-
CAS No: 102170-39-8 Catalog No: AG0006SB MDL No:
Product Description
Catalog Number:
AG0006SB
Chemical Name:
Benzaldehyde, 4-amino-2-nitro-
CAS Number:
102170-39-8
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
IUPAC Name:
4-amino-2-nitrobenzaldehyde
InChI:
InChI=1S/C7H6N2O3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H,8H2
InChI Key:
BFIVMQFWPKKQDE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1[N+](=O)[O-])N
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:
0.1
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