AG005MBG

73101-74-3 | 2-bromomethylbenzoxazole

AG005MBG

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CAS Number	73101-74-3
Catalog Number	AG005MBG(AGN-PC-0NK45T)
Chemical Name	2-bromomethylbenzoxazole
IUPAC Name	2-(bromomethyl)-1,3-benzoxazole
InChI	InChI=1S/C8H6BrNO/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2
InChI Key	VVKQNCHUKOHTDO-UHFFFAOYSA-N
MDL Number	MFCD11856915
Molecular Formula	C8H6BrNO
Molecular Weight	212.0433
SMILES	BrCC1=NC2=CC=CC=C2O1
Synonyms	2-(Bromomethyl)benzo[d]oxazole, 73101-74-3, 2-BROMOMETHYLBENZOXAZOLE, 2-(BROMOMETHYL)-1,3-BENZOXAZOLE, Benzoxazole, 2-(bromomethyl)-, 2-bromomethyl-benzooxazole, 2-(Bromomethyl)benzoxazole, Benzoxazole,2-(bromomethyl)-, SCHEMBL1500763, CTK5D7354, 2-(Bromomethyl);benzo[d]oxazole, DTXSID50508743, VVKQNCHUKOHTDO-UHFFFAOYSA-N, ANW-64244, MFCD11856915, ZINC39278311, AKOS016000211, MP-1308, WT81973, AJ-99588, AK-54970, AS-30817, CJ-19906, AB0052103, DB-074664, TC-152989, 4CH-008801, FT-0763282, ST24027613, Z5077, C8H6BrNO,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.963g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.046g/mol
Monoisotopic Mass	210.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number