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1261498-24-1 | Benzaldehyde, 3-amino-2-nitro-
CAS No: 1261498-24-1 Catalog No: AG000RTO MDL No:MFCD18389896
Product Description
Catalog Number:
AG000RTO
Chemical Name:
Benzaldehyde, 3-amino-2-nitro-
CAS Number:
1261498-24-1
Molecular Formula:
C7H6N2O3
Molecular Weight:
166.1341
MDL Number:
MFCD18389896
IUPAC Name:
3-amino-2-nitrobenzaldehyde
InChI:
InChI=1S/C7H6N2O3/c8-6-3-1-2-5(4-10)7(6)9(11)12/h1-4H,8H2
InChI Key:
MYJSHORNYHNRIP-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1[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:
1.1
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