AG002512

176961-50-5 | Oxazole, 2-(4-bromophenyl)-

AG002512

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CAS Number	176961-50-5
Catalog Number	AG002512(AGN-PC-0NFGSD)
Chemical Name	Oxazole, 2-(4-bromophenyl)-
IUPAC Name	2-(4-bromophenyl)-1,3-oxazole
InChI	InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H
InChI Key	LAPKDKRJQXERIR-UHFFFAOYSA-N
MDL Number	MFCD04973403
Molecular Formula	C9H6BrNO
Molecular Weight	224.0540
SMILES	BrC1=CC=C(C=C1)C1=NC=CO1
Synonyms	2-(4-bromophenyl)oxazole, 176961-50-5, 2-(4-bromophenyl)-1,3-oxazole, 2-(4-BROMO-PHENYL)-OXAZOLE, 2-(4-bromo Phenyl) oxazole, OXAZOLE, 2-(4-BROMOPHENYL)-, ACMC-1CGPM, Oxazole,2-(4-bromophenyl)-, SCHEMBL1169590, CTK4D6368, DTXSID30454315, LAPKDKRJQXERIR-UHFFFAOYSA-N, ZINC2540636, ANW-22852, MFCD04973403, AKOS015835640, AB21326, RP27497, RTR-008068, AJ-39114, AM807543, AB0032835, AB1004417, DB-065169, TR-008068, 4CH-002254, CS-0060218, FT-0708745, ST24039411, X6261, KS-00002459, K-5431, A812222, J-505917, F2147-1012, null, CS-4060, CID11075032,

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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number