AG003I3N

1119449-35-2 | 3-(4-Bromophenyl)-5-methylisoxazole-4-carboxaldehyde

AG003I3N

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CAS Number	1119449-35-2
Catalog Number	AG003I3N(AGN-PC-0WBOFT)
Chemical Name	3-(4-Bromophenyl)-5-methylisoxazole-4-carboxaldehyde
IUPAC Name	3-(4-bromophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde
InChI	InChI=1S/C11H8BrNO2/c1-7-10(6-14)11(13-15-7)8-2-4-9(12)5-3-8/h2-6H,1H3
InChI Key	YQMIITZUGLDSDU-UHFFFAOYSA-N
MDL Number	MFCD11656166
Molecular Formula	C11H8BrNO2
Molecular Weight	266.0907
SMILES	O=Cc1c(C)onc1c1ccc(cc1)Br
Synonyms	1119449-35-2, 3-(4-Bromophenyl)-5-methylisoxazole-4-carboxaldehyde, 3-(4-Bromophenyl)-5-methylisoxazole-4-carbaldehyde, ACMC-20ankk, 3-(4-Bromophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde, CTK8C6004, DTXSID90746283, 5172AH, MFCD11656166, ZINC43215022, TC-170219, A-7832, J-002667, 3-(4-Bromophenyl)-5-methylisoxazole-4-carboxaldehyde, 97%, C11H8BrNO2,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.974g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	266.094g/mol
Monoisotopic Mass	264.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.1A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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