AG002YJT

294877-33-1 | 1H-Pyrazole, 1-(3-bromophenyl)-

AG002YJT

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CAS Number	294877-33-1
Catalog Number	AG002YJT(AGN-PC-0LWSEB)
Chemical Name	1H-Pyrazole, 1-(3-bromophenyl)-
IUPAC Name	1-(3-bromophenyl)pyrazole
InChI	InChI=1S/C9H7BrN2/c10-8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7H
InChI Key	KUWAIOZTKMAIPI-UHFFFAOYSA-N
MDL Number	MFCD06797472
Molecular Formula	C9H7BrN2
Molecular Weight	223.0693
SMILES	BrC1=CC=CC(=C1)[N]2C=CC=N2
Synonyms	1-(3-Bromophenyl)-1H-pyrazole, 294877-33-1, 1-(3-Bromo-phenyl)-1H-pyrazole, 1-(3-bromophenyl)pyrazole, 1H-Pyrazole, 1-(3-bromophenyl)-, AC1OFHSF, (3-bromophenyl)pyrazole, ACMC-209h9b, SCHEMBL2733351, CTK4G3394, DTXSID10427805, KUWAIOZTKMAIPI-UHFFFAOYSA-N, 1H-Pyrazole,1-(3-bromophenyl)-, 3-(1H-Pyrazol-1-yl)bromobenzene, KS-000022QS, STR07180, ZINC4200668, ANW-26637, MFCD06797472, SBB096434, AKOS009564869, AB29652, AS-5191, RP05284, RTR-012814, AJ-48304, BP-21294, BR-29102, CJ-11384, AB0002245, DB-010511, ST2414979, TR-012814, 1-(3-Bromophenyl)-1H-pyrazole, AldrichCPR, 4CH-012924, AM20060445, FT-0647764, W5202, S-2892, A819933, J-503103, I14-24901, C9H7BrN2, ZINC04200668, CID7127804,

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
UN Code

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