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Home > Aldehydes > 1289163-05-8
1289163-05-8 | Benzaldehyde, 5-(methylamino)-2-nitro-
CAS No: 1289163-05-8 Catalog No: AG000YJA MDL No:MFCD22493382
Product Description
Catalog Number:
AG000YJA
Chemical Name:
Benzaldehyde, 5-(methylamino)-2-nitro-
CAS Number:
1289163-05-8
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD22493382
IUPAC Name:
5-(methylamino)-2-nitrobenzaldehyde
InChI:
InChI=1S/C8H8N2O3/c1-9-7-2-3-8(10(12)13)6(4-7)5-11/h2-5,9H,1H3
InChI Key:
QJCLGAHNMIHGBI-UHFFFAOYSA-N
SMILES:
O=Cc1cc(NC)ccc1[N+](=O)[O-]
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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