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73455-94-4 | 1H-Imidazole-2-carboxaldehyde,1-methyl-4-nitro-
CAS No: 73455-94-4 Catalog No: AG008QXW MDL No:MFCD18808527
Product Description
Catalog Number:
AG008QXW
Chemical Name:
1H-Imidazole-2-carboxaldehyde,1-methyl-4-nitro-
CAS Number:
73455-94-4
Molecular Formula:
C5H5N3O3
Molecular Weight:
155.1115
MDL Number:
MFCD18808527
IUPAC Name:
1-methyl-4-nitroimidazole-2-carbaldehyde
InChI:
InChI=1S/C5H5N3O3/c1-7-2-4(8(10)11)6-5(7)3-9/h2-3H,1H3
InChI Key:
VKNJBTMMRCVSOH-UHFFFAOYSA-N
SMILES:
O=Cc1nc(cn1C)[N+](=O)[O-]
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.113g/mol
Monoisotopic Mass:
155.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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