AG006CQB

938458-80-1 | 5-Bromo-2-ethylbenzo[d]oxazole

AG006CQB

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CAS Number	938458-80-1
Catalog Number	AG006CQB(AGN-PC-059BD1)
Chemical Name	5-Bromo-2-ethylbenzo[d]oxazole
IUPAC Name	5-bromo-2-ethyl-1,3-benzoxazole
InChI	InChI=1S/C9H8BrNO/c1-2-9-11-7-5-6(10)3-4-8(7)12-9/h3-5H,2H2,1H3
InChI Key	FEFKLDDJMPFJHS-UHFFFAOYSA-N
MDL Number	MFCD09055180
Molecular Formula	C9H8BrNO
Molecular Weight	226.0699
SMILES	N1=C(CC)OC2C=CC(Br)=CC1=2
Synonyms	5-Bromo-2-ethylbenzo[d]oxazole, 938458-80-1, 5-bromo-2-ethyl-1,3-benzoxazole, 5-bromo-2-ethylbenzoxazole, AK-85672, bromoethylbenzoxazole, SCHEMBL17876424, CTK5H3489, KS-00000IUD, DTXSID90650750, ZX-CM001989, ANW-74079, FCH932986, MFCD09055180, SBB096912, ZINC16698782, AKOS005072657, FC-0721, MCULE-4910653374, MP-0120, RP13037, RTR-029352, AJ-69546, DA-17641, SY018738, AX8182691, ST2411783, TR-029352, 4CH-009571, FT-0681014, Z5368, MFCD09055180 (95%), J-516920, I01-12959, C9H8BrNO,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.073g/mol
Monoisotopic Mass	224.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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