AG00BFJM

23889-85-2 | 1-Phenyl-4-iodopyrazole

AG00BFJM

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CAS Number	23889-85-2
Catalog Number	AG00BFJM(AGN-PC-0035OX)
Chemical Name	1-Phenyl-4-iodopyrazole
IUPAC Name	4-iodo-1-phenylpyrazole
InChI	InChI=1S/C9H7IN2/c10-8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H
InChI Key	PYJVDCYRDQUUKO-UHFFFAOYSA-N
MDL Number	MFCD11707168
Molecular Formula	C9H7IN2
Molecular Weight	270.0697
SMILES	Ic1cn(nc1)c1ccccc1
Synonyms	4-IODO-1-PHENYL-1H-PYRAZOLE, 23889-85-2, 1-PHENYL-4-IODOPYRAZOLE, 4-iodo-1-phenylpyrazole, 1H-Pyrazole, 4-iodo-1-phenyl-, MFCD11707168, PubChem13298, 4-iodanyl-1-phenyl-pyrazole, 1-Phenyl-4-iodo-1H-pyrazole, SCHEMBL2784980, CTK4C2892, KS-000023TW, 8066AD, 8067AD, ZINC44138797, AKOS015951051, CH-0717, MCULE-8932301106, VP20041, AB1007324, FT-0709088, 889P852, A816965, null, C9H7IN2, 141998-90-5,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.965g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	270.073g/mol
Monoisotopic Mass	269.965g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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