AG006W8A

51395-52-9 | 4-bromo-5-methyl-2,4-dihydro-3h-pyrazol-3-one

AG006W8A

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CAS Number	51395-52-9
Catalog Number	AG006W8A(AGN-PC-0JO1MX)
Chemical Name	4-bromo-5-methyl-2,4-dihydro-3h-pyrazol-3-one
IUPAC Name	4-bromo-3-methyl-1,4-dihydropyrazol-5-one
InChI	InChI=1S/C4H5BrN2O/c1-2-3(5)4(8)7-6-2/h3H,1H3,(H,7,8)
InChI Key	PFZZZDVWAXUXGE-UHFFFAOYSA-N
MDL Number	MFCD16620159
Molecular Formula	C4H5BrN2O
Molecular Weight	176.9993
NSC Number	109902
SMILES	O=C1C(Br)C(C)=NN1
Synonyms	4-Bromo-3-methyl-1H-pyrazol-5(4H)-one, 51395-52-9, 4-bromo-5-methyl-2,4-dihydro-3h-pyrazol-3-one, MLS002704194, NSC109902, AC1Q25DS, AC1L6M16, CHEMBL1723373, CTK4J4171, DTXSID90296556, MFCD16620159, STL301326, AKOS022103898, MCULE-4287701930, NSC-109902, AK-43677, DS-14220, SMR001570900, 3-Methyl-4-bromo-1H-pyrazol-5(4H)-one, 4-bromo-3-methyl-1,4-dihydropyrazol-5-one, CS-0060060, AR-1G1251, CID269249, 51757-84-7,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.959g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.001g/mol
Monoisotopic Mass	175.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	1
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

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