AG004I1W

87488-84-4 | 1-(2-Bromophenyl)pyrazole

AG004I1W

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CAS Number	87488-84-4
Catalog Number	AG004I1W(AGN-PC-0KL7IY)
Chemical Name	1-(2-Bromophenyl)pyrazole
IUPAC Name	1-(2-bromophenyl)pyrazole
InChI	InChI=1S/C9H7BrN2/c10-8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H
InChI Key	QNDJHGODPWAKAO-UHFFFAOYSA-N
MDL Number	MFCD06659065
Molecular Formula	C9H7BrN2
Molecular Weight	223.0693
SMILES	BrC1=CC=CC=C1N2N=CC=C2
Synonyms	1-(2-Bromophenyl)-1H-pyrazole, 87488-84-4, 1-(2-bromophenyl)pyrazole, 1-(2-Bromo-phenyl)-1H-pyrazole, AC1MDTCX, (2-bromophenyl)pyrazole, ACMC-209qo1, SCHEMBL4815370, CTK5F8542, KS-00002ATB, DTXSID00383668, QNDJHGODPWAKAO-UHFFFAOYSA-N, 1H-Pyrazole,1-(2-bromophenyl)-, ZINC4277300, ANW-38831, MFCD06659065, SBB096431, AKOS009563090, AB25920, PS-7804, RP05288, AJ-50078, TR-027509, 1-(2-bromophenyl)-1H-pyrazole, AldrichCPR, CS-0060463, FT-0646825, ST24037074, Y4430, J3.576.703G, A-3196, A842243, J-502955, I14-56037, C9H7BrN2, ZINC04277300, CID2795433,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.073g/mol
Monoisotopic Mass	221.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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