AG0037TW

13484-04-3 | 3-(4-Bromophenyl)isoxazole

AG0037TW

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CAS Number	13484-04-3
Catalog Number	AG0037TW(AGN-PC-0NJQYF)
Chemical Name	3-(4-Bromophenyl)isoxazole
IUPAC Name	3-(4-bromophenyl)-1,2-oxazole
InChI	InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9-5-6-12-11-9/h1-6H
InChI Key	BZZNOXIJKCPQNF-UHFFFAOYSA-N
MDL Number	MFCD08446384
Molecular Formula	C9H6BrNO
Molecular Weight	224.0540
SMILES	BrC1=CC=C(C=C1)C1=NOC=C1
Synonyms	3-(4-bromophenyl)isoxazole, 13484-04-3, 3-(4-bromophenyl)-1,2-oxazole, 3-(4-Bromophenyl)-isoxazole, ISOXAZOLE, 3-(4-BROMOPHENYL)-, Isoxazole,3-(4-bromophenyl)-, SCHEMBL3874275, CTK4B9452, DTXSID80505609, BZZNOXIJKCPQNF-UHFFFAOYSA-N, 3-(4-Bromophenyl)isoxazole, 97%, ACT07847, KS-000003NJ, 6248AA, ANW-55734, MFCD08446384, ZINC15442911, AKOS015949236, PB20257, RP09487, AJ-67436, AK-58313, BP-21191, DS-16117, AB0158573, DB-012034, TC-144479, CS-0051749, FT-0684850, C-8171, A806845, W-205455, C9H6BrNO,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.963g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.057g/mol
Monoisotopic Mass	222.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number