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31478-45-2 | bamnidazole
CAS No: 31478-45-2 Catalog No: AG00CJ5U MDL No:MFCD00866609
Product Description
Catalog Number:
AG00CJ5U
Chemical Name:
bamnidazole
CAS Number:
31478-45-2
Molecular Formula:
C7H10N4O4
Molecular Weight:
214.1787
MDL Number:
MFCD00866609
IUPAC Name:
2-(2-methyl-5-nitroimidazol-1-yl)ethyl carbamate
InChI:
InChI=1S/C7H10N4O4/c1-5-9-4-6(11(13)14)10(5)2-3-15-7(8)12/h4H,2-3H2,1H3,(H2,8,12)
InChI Key:
JOVXEDBYAWFQQX-UHFFFAOYSA-N
SMILES:
NC(=O)OCCn1c(C)ncc1[N+](=O)[O-]
EC Number:
250-650-6
UNII:
4X7Y0185J3
NSC Number:
329676
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.181g/mol
Monoisotopic Mass:
214.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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