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681491-12-3 | (2-METHYL-6-NITRO-2,3-DIHYDRO-IMIDAZO[2,1-B]OXAZOL-2-YL)-METHANOL
CAS No: 681491-12-3 Catalog No: AG005MII MDL No:
Product Description
Catalog Number:
AG005MII
Chemical Name:
(2-METHYL-6-NITRO-2,3-DIHYDRO-IMIDAZO[2,1-B]OXAZOL-2-YL)-METHANOL
CAS Number:
681491-12-3
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
IUPAC Name:
(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methanol
InChI:
InChI=1S/C7H9N3O4/c1-7(4-11)3-9-2-5(10(12)13)8-6(9)14-7/h2,11H,3-4H2,1H3
InChI Key:
UYEAVRLFLZMBSY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn2c(n1)OC(C2)(C)CO
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.166g/mol
Monoisotopic Mass:
199.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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