AG006N5P

99586-31-9 | 2-(3-bromophenyl)-1,3-benzoxazole

AG006N5P

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CAS Number	99586-31-9
Catalog Number	AG006N5P(AGN-PC-0WB3EY)
Chemical Name	2-(3-bromophenyl)-1,3-benzoxazole
IUPAC Name	2-(3-bromophenyl)-1,3-benzoxazole
InChI	InChI=1S/C13H8BrNO/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H
InChI Key	KHEXVASQRAJENK-UHFFFAOYSA-N
MDL Number	MFCD01565105
Molecular Formula	C13H8BrNO
Molecular Weight	274.1127
SMILES	BrC1=CC(C2=NC3=CC=CC=C3O2)=CC=C1
Synonyms	2-(3-bromophenyl)-1,3-benzoxazole, 99586-31-9, 2-(3-bromophenyl)benzo[d]oxazole, 2-(3-bromophenyl)benzoxazole, AC1LHWPS, Cambridge id 5804199, SCHEMBL751653, CHEMBL398927, CTK5I0537, KHEXVASQRAJENK-UHFFFAOYSA-N, CHEMBRDG-BB 4010237, ZINC436237, ZX-CM003377, MFCD01565105, STK080303, AKOS002231537, MCULE-4234808081, NCGC00327363-01, AJ-22857, ST50107002, 2-(3-Bromophenyl)-1,3-benzoxazole AldrichCPR, W-8421, 2-(3-Bromophenyl)-1,3-benzoxazole, AldrichCPR, AB01322225-02, CID870520, ZINC00436237, ACN-041927,

Complexity	248
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	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number