AG002JZB

20898-85-5 | (5-Nitrothiophen-2-yl)methanol

AG002JZB

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CAS Number	20898-85-5
Catalog Number	AG002JZB(AGN-PC-0JM8P3)
Chemical Name	(5-Nitrothiophen-2-yl)methanol
IUPAC Name	(5-nitrothiophen-2-yl)methanol
InChI	InChI=1S/C5H5NO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2
InChI Key	QYNOWSBTIMNUDS-UHFFFAOYSA-N
MDL Number	MFCD06202767
Molecular Formula	C5H5NO3S
Molecular Weight	159.1631
NSC Number	330182
SMILES	OCC1=CC=C([N+]([O-])=O)S1
Synonyms	(5-nitrothiophen-2-yl)methanol, 20898-85-5, 2-(Hydroxymethyl)-5-nitrothiophene, 2-Thiophenemethanol, 5-nitro-, NSC330182, AC1L7BGC, 5-nitrothien-2-ylmethanol, 5-nitro-2-thiophenemethanol, 2-thiophenemethanol,5-nitro-, SCHEMBL960965, 2-hydroxymethyl-5-nitrothiophene, CTK8H5576, DTXSID90318409, 2-hydroxymethyl-5-nitro-thiophene, QYNOWSBTIMNUDS-UHFFFAOYSA-N, ZINC1574807, 4775AJ, FD7262, MFCD06202767, AKOS006295225, NSC-330182, QC-6761, TRA0175056, KS-00000E56, AS-49308, CJ-05408, SY021452, AB0066564, Z-3374, MFCD06202767 (97+%), C5H5NO3S, CID332588, 2-Thiophenemethanol, 5-nitro- (7CI,8CI,9CI), 1017232-88-0,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.999g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	159.159g/mol
Monoisotopic Mass	158.999g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	94.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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