AG007IS3

3164-13-4 | Benzoxazole,2-(4-bromophenyl)-

AG007IS3

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CAS Number	3164-13-4
Catalog Number	AG007IS3(AGN-PC-0NKIU2)
Chemical Name	Benzoxazole,2-(4-bromophenyl)-
IUPAC Name	2-(4-bromophenyl)-1,3-benzoxazole
InChI	InChI=1S/C13H8BrNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChI Key	RBVHJNZMSBQFDK-UHFFFAOYSA-N
MDL Number	MFCD00168898
Molecular Formula	C13H8BrNO
Molecular Weight	274.1127
SMILES	Brc1ccc(cc1)c1nc2c(o1)cccc2
Synonyms	3164-13-4, 2-(4-Bromo-phenyl)-benzooxazole, 2-(4-bromophenyl)benzo[d]oxazole, 2-(4-bromophenyl)-1,3-benzoxazole, 2-(4-bromophenyl)benzoxazole, Benzoxazole,2-(4-bromophenyl)-, SCHEMBL309125, SCHEMBL4155693, CTK4G7505, KS-00001AMS, DTXSID90511357, RBVHJNZMSBQFDK-UHFFFAOYSA-N, ZX-CM003376, 1155AJ, MFCD00168898, ZINC19089065, AKOS015901376, ACM3164134, AC-20986, AJ-71109, AM803684, DB-027871, B5017, CS-0039100, FT-0761885, W-6594, I14-14911, C13H8BrNO, 2- -BENZOOXAZOLE, ACN-041903, (2R)-1-benzyl-2-(chloromethyl)pyrrolidine,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.979g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	274.117g/mol
Monoisotopic Mass	272.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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