AG003Q8V

871673-11-9 | Ethyl 4-(3-bromophenyl)-1,3-thiazole-2-carboxylate

AG003Q8V

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CAS Number	871673-11-9
Catalog Number	AG003Q8V(AGN-PC-0M826F)
Chemical Name	Ethyl 4-(3-bromophenyl)-1,3-thiazole-2-carboxylate
IUPAC Name	ethyl 4-(3-bromophenyl)-1,3-thiazole-2-carboxylate
InChI	InChI=1S/C12H10BrNO2S/c1-2-16-12(15)11-14-10(7-17-11)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3
InChI Key	NQWDLNQDIXUKNF-UHFFFAOYSA-N
MDL Number	MFCD06797357
Molecular Formula	C12H10BrNO2S
Molecular Weight	312.1823
SMILES	O=C(C1=NC(C2=CC=CC(Br)=C2)=CS1)OCC
Synonyms	871673-11-9, ETHYL 4-(3-BROMOPHENYL)THIAZOLE-2-CARBOXYLATE, ethyl 4-(3-bromophenyl)-1,3-thiazole-2-carboxylate, AC1P0MAL, Ethyl4-(3-Bromophenyl)thiazole-2-carboxylate, CTK6F8166, KS-00000BJN, DTXSID70429067, ethylbromophenylthiazolecarboxylate, ZINC6850839, 1167AF, MFCD06797357, AKOS001136469, AB29613, CF-0721, MCULE-9743419145, RP16339, TRA0073975, AJ-56910, CJ-13113, SC-30226, SY012421, TR-072423, FT-0682944, Z-4177, MFCD06797357 (97+%), 4-(3-Bromophenyl)-2-(ethoxycarbonyl)-1,3-thiazole, I14-26151, Z118257638, 4-(3-BROMO-PHENYL)-THIAZOLE-2-CARBOXYLIC ACID ETHY, 4-(3-BROMO-PHENYL)-THIAZOLE-2-CARBOXYLIC ACID ETHYL ESTER, ETHYL 4-(3-BROMOPHENYL)-1,3-THIAZOLE-2-CARBOXYLATE 95+%, C12H10BrNO2S, ZINC06850839, CID8098247,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	310.962g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	312.181g/mol
Monoisotopic Mass	310.962g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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