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Home > Imidazoles > 1803320-52-6
1803320-52-6 | 1-(Cyclopropylmethyl)-4-methyl-5-nitro-1h-imidazole
CAS No: 1803320-52-6 Catalog No: AG00I019 MDL No:MFCD29059353
Product Description
Catalog Number:
AG00I019
Chemical Name:
1-(Cyclopropylmethyl)-4-methyl-5-nitro-1h-imidazole
CAS Number:
1803320-52-6
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD29059353
IUPAC Name:
1-(cyclopropylmethyl)-4-methyl-5-nitroimidazole
InChI:
InChI=1S/C8H11N3O2/c1-6-8(11(12)13)10(5-9-6)4-7-2-3-7/h5,7H,2-4H2,1H3
InChI Key:
SVXYYAISAFZAHU-UHFFFAOYSA-N
SMILES:
Cc1ncn(c1[N+](=O)[O-])CC1CC1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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