AG007R3C

196877-76-6 | 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole

AG007R3C

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CAS Number	196877-76-6
Catalog Number	AG007R3C(AGN-PC-0MOI0B)
Chemical Name	5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole
IUPAC Name	5-(bromomethyl)-3-(4-methoxyphenyl)-1,2-oxazole
InChI	InChI=1S/C11H10BrNO2/c1-14-9-4-2-8(3-5-9)11-6-10(7-12)15-13-11/h2-6H,7H2,1H3
InChI Key	QDQMLRXNRCWYLG-UHFFFAOYSA-N
MDL Number	MFCD06738487
Molecular Formula	C11H10BrNO2
Molecular Weight	268.1066
SMILES	COC1=CC=C(C=C1)C2=NOC(=C2)CBr
Synonyms	5-(bromomethyl)-3-(4-methoxyphenyl)isoxazole, 196877-76-6, 5-(bromomethyl)-3-(4-methoxyphenyl)-1,2-oxazole, AC1PNDBS, AC1Q4ATV, SCHEMBL1566524, CTK4E2051, DTXSID10429384, ZINC8074999, MFCD06738487, AKOS000119232, AB27218, MCULE-7583938918, NE13425, DB-065920, RT-010118, FT-0726594, EN300-24227, A813877, Isoxazole, 5-(bromomethyl)-3-(4-methoxyphenyl)-, J-516301, 5-(Bromomethyl)-3-(4-methoxyphenyl)isoxazole, AldrichCPR, ZINC08074999, CID9207786,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	266.989g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	268.11g/mol
Monoisotopic Mass	266.989g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number