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68406-49-5 | 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)-
CAS No: 68406-49-5 Catalog No: AG005QF0 MDL No:MFCD26398585
Product Description
Catalog Number:
AG005QF0
Chemical Name:
1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)-
CAS Number:
68406-49-5
Molecular Formula:
C8H12N4O2
Molecular Weight:
196.2065
MDL Number:
MFCD26398585
IUPAC Name:
2-nitro-5-(pyrrolidin-1-ylmethyl)-1H-imidazole
InChI:
InChI=1S/C8H12N4O2/c13-12(14)8-9-5-7(10-8)6-11-3-1-2-4-11/h5H,1-4,6H2,(H,9,10)
InChI Key:
DTPRVEPEYAHRKY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]cc(n1)CN1CCCC1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.21g/mol
Monoisotopic Mass:
196.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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