AG003RTK

885279-68-5 | Methyl 4-(3-nitrophenyl)thiazole-2-carboxylate

AG003RTK

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CAS Number	885279-68-5
Catalog Number	AG003RTK(AGN-PC-09RRDM)
Chemical Name	Methyl 4-(3-nitrophenyl)thiazole-2-carboxylate
IUPAC Name	methyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate
InChI	InChI=1S/C11H8N2O4S/c1-17-11(14)10-12-9(6-18-10)7-3-2-4-8(5-7)13(15)16/h2-6H,1H3
InChI Key	PONINADZEJJIPE-UHFFFAOYSA-N
MDL Number	MFCD06738750
Molecular Formula	C11H8N2O4S
Molecular Weight	264.2572
SMILES	O=C(C1=NC(C2=CC=CC([N+]([O-])=O)=C2)=CS1)OC
Synonyms	Methyl 4-(3-nitrophenyl)thiazole-2-carboxylate, 885279-68-5, C11H8N2O4S, 4-(3-NITRO-PHENYL)-THIAZOLE-2-CARBOXYLIC ACID METHYL ESTER, Methyl4-(3-Nitrophenyl)thiazole-2-carboxylate, KS-00000BJO, MFCD06738750, ZINC44136728, AKOS022183252, AB27807, RP06387, TRA0159735, CJ-20419, CS-11254, SY012428, AJ-109295, TC-308502, Y4519, MFCD06738750 (95%), Q-9047, A831465, J-522235, methyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate, 4-(3-nitrophenyl)-2-thiazolecarboxylic acid methyl ester, 57493-24-0, 1006-94-6, 239110-15-7,

Complexity	334
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.02g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	264.255g/mol
Monoisotopic Mass	264.02g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	113A^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-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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