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85012-73-3 | 1-METHYL-4-NITRO-1H-IMIDAZOLE-5-CARBALDEHYDE
CAS No: 85012-73-3 Catalog No: AG00363W MDL No:MFCD18432538
Product Description
Catalog Number:
AG00363W
Chemical Name:
1-METHYL-4-NITRO-1H-IMIDAZOLE-5-CARBALDEHYDE
CAS Number:
85012-73-3
Molecular Formula:
C5H5N3O3
Molecular Weight:
155.1115
MDL Number:
MFCD18432538
IUPAC Name:
3-methyl-5-nitroimidazole-4-carbaldehyde
InChI:
InChI=1S/C5H5N3O3/c1-7-3-6-5(8(10)11)4(7)2-9/h2-3H,1H3
InChI Key:
VWTGGHMOJLORHA-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)cnc1[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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