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64323-88-2 | Carbonic acid 1-[2-nitro-1-methyl-1H-imidazol-5-yl]-1-methylethyl=phenyl ester
CAS No: 64323-88-2 Catalog No: AG00F72V MDL No:
Product Description
Catalog Number:
AG00F72V
Chemical Name:
Carbonic acid 1-[2-nitro-1-methyl-1H-imidazol-5-yl]-1-methylethyl=phenyl ester
CAS Number:
64323-88-2
IUPAC Name:
2-(3-methyl-2-nitroimidazol-4-yl)propan-2-yl phenyl carbonate
InChI:
InChI=1S/C14H15N3O5/c1-14(2,11-9-15-12(16(11)3)17(19)20)22-13(18)21-10-7-5-4-6-8-10/h4-9H,1-3H3
InChI Key:
KUOKVKLNRUSHGT-UHFFFAOYSA-N
NSC Number:
315575
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.29g/mol
Monoisotopic Mass:
305.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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