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1309885-35-5 | 2-methyl-2-(4-nitro-1H-imidazol-1-yl)propan-1-ol
CAS No: 1309885-35-5 Catalog No: AG00IM80 MDL No:
Product Description
Catalog Number:
AG00IM80
Chemical Name:
2-methyl-2-(4-nitro-1H-imidazol-1-yl)propan-1-ol
CAS Number:
1309885-35-5
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
IUPAC Name:
2-methyl-2-(4-nitroimidazol-1-yl)propan-1-ol
InChI:
InChI=1S/C7H11N3O3/c1-7(2,4-11)9-3-6(8-5-9)10(12)13/h3,5,11H,4H2,1-2H3
InChI Key:
YYZFVYWKCCAZTP-UHFFFAOYSA-N
SMILES:
OCC(n1cnc(c1)[N+](=O)[O-])(C)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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