AG00DFRL

51849-84-4 | 2-(3-Bromophenyl)-4,5-dihydro-4,4-dimethyloxazole

AG00DFRL

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CAS Number	51849-84-4
Catalog Number	AG00DFRL(AGN-PC-00JSBS)
Chemical Name	2-(3-Bromophenyl)-4,5-dihydro-4,4-dimethyloxazole
IUPAC Name	2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole
InChI	InChI=1S/C11H12BrNO/c1-11(2)7-14-10(13-11)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3
InChI Key	XVNJBDKWBSRNOE-UHFFFAOYSA-N
MDL Number	MFCD01764741
Molecular Formula	C11H12BrNO
Molecular Weight	254.1231
SMILES	CC1(C)N=C(C2=CC=CC(Br)=C2)OC1
Synonyms	51849-84-4, 2-(3-BROMOPHENYL)-4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE, 2-(3-BROMOPHENYL)-4,4-DIMETHYL-4,5-DIHYDROOXAZOLE, 4,5-dihydro-4,4-dimethyl-2-(3-bromophenyl)oxazole, SCHEMBL1624547, CTK1G3910, DTXSID30511497, XVNJBDKWBSRNOE-UHFFFAOYSA-N, AB3191, MFCD01764741, ZINC39317228, AKOS022532977, AS-44692, 2-(3-Bromophenyl)-4,4-dimethyl-2-oxazoline, 2-(3-bromophenyl)-4,4-dimethyl-5H-oxazole, 2-(3-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole, A828812, 2-(3-bromophenyl)-4,4-dimethyl-4,5-dihydro-oxazole, Oxazole, 2-(3-bromophenyl)-4,5-dihydro-4,4-dimethyl-, 2-(3-Bromophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole, 2- -4,5-DIHYDRO-4,4-DIMETHYLOXAZOLE,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.127g/mol
Monoisotopic Mass	253.01g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	21.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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