AG0047AR

885278-78-4 | 2-(2-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester

AG0047AR

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CAS Number	885278-78-4
Catalog Number	AG0047AR(AGN-PC-07ASQY)
Chemical Name	2-(2-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester
IUPAC Name	ethyl 2-(2-bromophenyl)-1,3-thiazole-4-carboxylate
InChI	InChI=1S/C12H10BrNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
InChI Key	CPLANXDOXGJYNP-UHFFFAOYSA-N
MDL Number	MFCD06738339
Molecular Formula	C12H10BrNO2S
Molecular Weight	312.1823
SMILES	O=C(C1=CSC(C2=CC=CC=C2Br)=N1)OCC
Synonyms	885278-78-4, Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate, 2-(2-BROMO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, 2-(2-Bromophenyl)thiazole-4-carboxylic acid ethyl ester, ethyl 2-(2-bromophenyl)-1,3-thiazole-4-carboxylate, SCHEMBL3436031, CTK8B8614, DTXSID20668646, ANW-60880, CE-714, MFCD06738339, ZINC39121825, AKOS016003342, AB26932, RP06900, AJ-98594, AS-40831, SC-30846, AX8168067, BC4716104, DB-077774, RT-006972, FT-0721768, Y5612, Q-9031, J-520587, 2-(2-BROMO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHY, C12H10BrNO2S, 4-Thiazolecarboxylic acid, 2-(2-bromophenyl)-, ethyl ester (9CI),

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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