AG00IL4Y

1703808-62-1 | 3-Bromo-1-methyl-1H-pyrazole-4-carbonitrile

AG00IL4Y

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CAS Number	1703808-62-1
Catalog Number	AG00IL4Y(AGN-PC-0WNH3I)
Chemical Name	3-Bromo-1-methyl-1H-pyrazole-4-carbonitrile
IUPAC Name	3-bromo-1-methylpyrazole-4-carbonitrile
InChI	InChI=1S/C5H4BrN3/c1-9-3-4(2-7)5(6)8-9/h3H,1H3
InChI Key	ZMOSVKIENNNZHG-UHFFFAOYSA-N
MDL Number	MFCD28247084
Molecular Formula	C5H4BrN3
Molecular Weight	186.0094
SMILES	C(#N)c1c(Br)nn(c1)C
Synonyms	3-Bromo-1-methyl-1H-pyrazole-4-carbonitrile, 1703808-62-1, 3-Bromo-1-methylpyrazole-4-carbonitrile, SCHEMBL16654819, MFCD28247084, ZINC213226228, KS-0000086O, AS-53941, CS-0051489,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.959g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.012g/mol
Monoisotopic Mass	184.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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