AG00C0Z6

342617-08-7 | 3-(3-Bromophenyl)-1h-1,2,4-triazole

AG00C0Z6

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CAS Number	342617-08-7
Catalog Number	AG00C0Z6(AGN-PC-0O9453)
Chemical Name	3-(3-Bromophenyl)-1h-1,2,4-triazole
IUPAC Name	5-(3-bromophenyl)-1H-1,2,4-triazole
InChI	InChI=1S/C8H6BrN3/c9-7-3-1-2-6(4-7)8-10-5-11-12-8/h1-5H,(H,10,11,12)
InChI Key	SSHMLGQRBZYTMM-UHFFFAOYSA-N
MDL Number	MFCD18087726
Molecular Formula	C8H6BrN3
Molecular Weight	224.0573
SMILES	BrC1=CC(C2=NN=CN2)=CC=C1
Synonyms	3-(3-BROMOPHENYL)-4H-1,2,4-TRIAZOLE, 342617-08-7, 3-(3-Bromophenyl)-1H-1,2,4-triazole, 5-(3-bromophenyl)-1H-1,2,4-triazole, AK-90654, EN300-77945, 1H-1,2,4-Triazole, 5-(3-bromophenyl)-, SCHEMBL174683, ACMC-209i68, CTK4H2023, KS-00000PYZ, DTXSID80499195, SSHMLGQRBZYTMM-UHFFFAOYSA-N, ANW-27822, MFCD18087726, ZINC39233285, AKOS015834618, AKOS025394640, FCH1322981, AJ-99244, AJ-99245, DA-06649, DS-17082, 5-(3-bromophenyl)-1H-[1,2,4]triazole, AX8229300, TR-036543, 4CH-003648, CS-0060391, FT-0752598, ST24022540, V5310, I14-24918, C8H6BrN3, ACN-048637,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.975g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.061g/mol
Monoisotopic Mass	222.975g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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