AG003MFG

1427475-12-4 | 5-Bromo-1,2,4-triazole-3-carbonitrile

AG003MFG

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CAS Number	1427475-12-4
Catalog Number	AG003MFG(AGN-PC-0WAM6R)
Chemical Name	5-Bromo-1,2,4-triazole-3-carbonitrile
IUPAC Name	5-bromo-1H-1,2,4-triazole-3-carbonitrile
InChI	InChI=1S/C3HBrN4/c4-3-6-2(1-5)7-8-3/h(H,6,7,8)
InChI Key	PUWSMKDRNSIONG-UHFFFAOYSA-N
MDL Number	MFCD23381102
Molecular Formula	C3HBrN4
Molecular Weight	172.9708
SMILES	N#CC1=NNC(Br)=N1
Synonyms	5-Bromo-1,2,4-triazole-3-carbonitrile, 1427475-12-4, C3HBrN4, SCHEMBL20301787, KS-00000E5K, 6333AJ, MFCD23381102, ZINC95635418, AKOS027256855, FCH2318564, AS-48119, SY022396, CS-0044487, FT-0718409, MFCD23381102 (95%), 5-BROMO-1H-1,2,4-TRIAZOLE-3-CARBONITRILE,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.938g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.973g/mol
Monoisotopic Mass	171.938g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	65.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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