AG003MLN

54454-10-3 | 5-Chloro-1,3-dimethyl-1H-pyrazole

AG003MLN

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CAS Number	54454-10-3
Catalog Number	AG003MLN(AGN-PC-0JSA2A)
Chemical Name	5-Chloro-1,3-dimethyl-1H-pyrazole
IUPAC Name	5-chloro-1,3-dimethylpyrazole
InChI	InChI=1S/C5H7ClN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3
InChI Key	DDUSLFAWARYAPR-UHFFFAOYSA-N
MDL Number	MFCD00051650
Molecular Formula	C5H7ClN2
Molecular Weight	130.5755
SMILES	CC1=NN(C)C(Cl)=C1
Synonyms	5-Chloro-1,3-dimethyl-1H-pyrazole, 54454-10-3, 5-Chloro-1,3-dimethylpyrazole, 1H-Pyrazole, 5-chloro-1,3-dimethyl-, 1,3-dimethyl-5-chloropyrazole, DDUSLFAWARYAPR-UHFFFAOYSA-N, MFCD00051650, PubChem9980, AC1LAVOG, ACMC-20am54, SCHEMBL21061, AC1Q408J, 5-chloro-1,3-dimethyl-pyrazole, CTK5A1085, DTXSID30334663, ZINC159481, 5-chloranyl-1,3-dimethyl-pyrazole, STR06047, 1,3-Dimethyl-5-chloro-1H-pyrazole, 5331AE, CC-032, SBB054432, 1H-Pyrazole,5-chloro-1,3-dimethyl-, AKOS009158531, NE11052, SB20002, 5-Chloro-1,3-dimethyl-1H-pyrazole #, AJ-15500, AN-40603, SC-50299, DB-012258, TC-168367, FT-0615310, ST50411809, EN300-40321, 454C103, A830191, I14-8917, W-203054, C5H7ClN2, CID521507, ZINC00159481,

Complexity	86.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	130.03g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	130.575g/mol
Monoisotopic Mass	130.03g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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