AG00C8YA

42027-81-6 | 1-hydroxyethyl-4-nitropyrazole

AG00C8YA

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CAS Number	42027-81-6
Catalog Number	AG00C8YA(AGN-PC-0WAMTZ)
Chemical Name	1-hydroxyethyl-4-nitropyrazole
IUPAC Name	2-(4-nitropyrazol-1-yl)ethanol
InChI	InChI=1S/C5H7N3O3/c9-2-1-7-4-5(3-6-7)8(10)11/h3-4,9H,1-2H2
InChI Key	WHPWNPMESFLXQT-UHFFFAOYSA-N
MDL Number	MFCD06740528
Molecular Formula	C5H7N3O3
Molecular Weight	157.1274
SMILES	[N+](=O)([O-])C=1C=NN(C1)CCO
Synonyms	1-hydroxyethyl-4-nitropyrazole, M and B 4998, M and B-4998, 2-(4-nitro-1H-pyrazol-1-yl)ethanol, 42027-81-6, 2-(4-Nitro-pyrazol-1-yl)-ethanol, 1H-Pyrazole-1-ethanol, 4-nitro-, 2-(4-nitropyrazol-1-yl)ethanol, 2-(4-nitro-1H-pyrazol-1-yl)ethan-1-ol, 2-(4-nitropyrazolyl)ethan-1-ol, M&B 4998, M&B-4998, AC1L4QLX, AC1Q20AT, SCHEMBL1703117, CTK5I4083, KS-00000PHZ, WHPWNPMESFLXQT-UHFFFAOYSA-N, ZINC4290899, 4-nitro-1-(2-hydroxyethyl)pyrazole, ANW-71693, MFCD06740528, SBB022878, STK350072, AKOS000312106, AKOS015922076, CS-W001844, MCULE-8182731356, SB21955, AJ-50357, AK-76897, AM803882, DS-16765, TC-160438, ST45115186, V5872, K-8774, Z430616848, 126740-24-7, 1-Hydroxyethyl-4-nitropyrazole, C5H7N3O3, C5-H7-N3-O3, AR-1C3836, AR-1C3837, CID162055, 5412-39-5, 5412-43-1,

Complexity	146
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	2
Topological Polar Surface Area	83.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

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

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