AG00BYVJ

39070-14-9 | (3-METHYL-2-NITRO-3H-IMIDAZOL-4-YL)-METHANOL

AG00BYVJ

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CAS Number	39070-14-9
Catalog Number	AG00BYVJ(AGN-PC-0JL9LG)
Chemical Name	(3-METHYL-2-NITRO-3H-IMIDAZOL-4-YL)-METHANOL
IUPAC Name	(3-methyl-2-nitroimidazol-4-yl)methanol
InChI	InChI=1S/C5H7N3O3/c1-7-4(3-9)2-6-5(7)8(10)11/h2,9H,3H2,1H3
InChI Key	WXSSUDRHAJTESR-UHFFFAOYSA-N
MDL Number	MFCD06738747
Molecular Formula	C5H7N3O3
Molecular Weight	157.1274
NSC Number	307224
SMILES	OCC1=CN=C([N+]([O-])=O)N1C
UNII	85SM19TN0H
Synonyms	39070-14-9, (1-methyl-2-nitro-1h-imidazol-5-yl)methanol, (3-Methyl-2-nitro-3H-imidazol-4-yl)-methanol, 1-METHYL-2-NITRO-1H-IMIDAZOLE-5-METHANOL, NSC307224, NSC-307224, UNII-85SM19TN0H, (3-methyl-2-nitroimidazol-4-yl)methanol, 85SM19TN0H, 1-METHYL-2-NITRO-5-HYDROXYMETHYLIMIDAZOLE, 1-methyl-2-nitroimidazole-5-methanol, (3-methyl-2-nitro-imidazol-4-yl)methanol, 1H-IMIDAZOLE-5-METHANOL, 1-METHYL-2-NITRO-, AC1L2DRM, AC1Q5AW5, SCHEMBL1978137, CTK1C2939, WXSSUDRHAJTESR-UHFFFAOYSA-N, BCP06286, CS-M2113, 5084AB, CM-318, MFCD06738747, QC-921, ZINC13207527, AKOS006293395, AB27799, NSC 307224, (3-methyl-2-nitro-4-imidazolyl)methanol, AC-30366, AJ-63463, AS-31299, LS-78759, 5-Hydroxymethyl-1-methyl-2-nitroimidazole, AB0071787, DB-069758, TX-015616, BB 0262296, FT-0712737, L-4685, L-8938, A824397, (3-METHYL-2-NITRO-3H-IMIDAZOL-4-YL)METHANOL, F2196-0113, C5H7N3O3, KST-1A9269, CID70292, EINECS 213-312-9, AR-1A0945, 1-Methyl-5-nitro-2-imidazolemethanol, 1-Methyl-5-nitro-1H-imidazole-2-methanol, BRN 0744944, 1-Methyl-2-hydroxymethyl-5-nitroimidazole, 2-Hydroxymethyl-1-methyl-5-nitroimidazole, Imidazole-2-methanol, 1-methyl-5-nitro-, 1H-Imidazole-5-methanol, 1-methyl-2-nitro- (9CI), 99422-01-2, 936-05-0,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.049g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	157.129g/mol
Monoisotopic Mass	157.049g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number