AG003M5C

72571-06-3 | 5-(4-Bromophenyl)-1,3-oxazole

AG003M5C

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CAS Number	72571-06-3
Catalog Number	AG003M5C(AGN-PC-0KKXIN)
Chemical Name	5-(4-Bromophenyl)-1,3-oxazole
IUPAC Name	5-(4-bromophenyl)-1,3-oxazole
InChI	InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H
InChI Key	FEBCQOHEPVLTLY-UHFFFAOYSA-N
MDL Number	MFCD02682015
Molecular Formula	C9H6BrNO
Molecular Weight	224.0540
SMILES	Brc1ccc(cc1)c1cnco1
Synonyms	5-(4-bromophenyl)oxazole, 5-(4-bromophenyl)-1,3-oxazole, 72571-06-3, Oxazole,5-(4-bromophenyl)-, Oxazole, 5-(4-bromophenyl)-, AC1MCQYG, 5-(4-bromo-phenyl)-oxazole, MLS000763519, SCHEMBL102644, AC1Q24P7, CHEMBL1401054, CTK5D6509, DTXSID10380062, FEBCQOHEPVLTLY-UHFFFAOYSA-N, HMS2721E13, ZINC158795, KS-00000DL5, ANW-54995, KM1489, MFCD02682015, SBB096586, AKOS005069534, MCULE-7528286353, RP05327, TRA0005726, AJ-15350, SC-27961, SMR000336862, SY003400, ZB007069, TR-023693, A9435, FT-0619635, Y9922, 5-(4-bromophenyl)-1,3-oxazole, AldrichCPR, MFCD02682015 (97+%), 11X-0800, J-516214, I14-11537, C9H6BrNO, ZINC00158795, CID2776418,

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	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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