Ornidazole Impurity 14

CAT: 1299-RM-O181414-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-O181414-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

74550-92-8

Synonyms

1,3-bis (2-methyl-5-nitro-1H-imidazol-1-yl) propan-2-ol

Molecular Formula

C11H14N6O5

Molecular Weight

310.27

Target Alternative Name

Ornidazole

Product Name Synonym

1,3-bis (2-methyl-5-nitro-1H-imidazol-1-yl) propan-2-ol

Chemical Information

1,3-Bis(2-methyl-5-nitro-1h-imidazol-1-yl)propan-2-ol

CAS Number	74550-92-8
PubChem CID	93446
IUPAC Name	1,3-bis(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
Molecular Formula	C11H14N6O5
Molecular Weight	310.27
XLogP	0.1
Topological Polar Surface Area	148
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	388

SMILES

CC1=NC=C(N1CC(CN2C(=NC=C2[N+](=O)[O-])C)O)[N+](=O)[O-]

InChI

InChI=1S/C11H14N6O5/c1-7-12-3-10(16(19)20)14(7)5-9(18)6-15-8(2)13-4-11(15)17(21)22/h3-4,9,18H,5-6H2,1-2H3

InChIKey

KAOLQMBIYJYWNM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 74550-92-8

CID: 93446

Formula: C11H14N6O5

MW: 310.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.27
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	310.10256757
Monoisotopic Mass	310.10256757
Topological Polar Surface Area	148 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	388
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes