AG00C72M

391668-77-2 | (5-Formyl-thiazol-2-yl)-carbamic acid tert-butyl ester

AG00C72M

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CAS Number	391668-77-2
Catalog Number	AG00C72M(AGN-PC-09SGF0)
Chemical Name	(5-Formyl-thiazol-2-yl)-carbamic acid tert-butyl ester
IUPAC Name	tert-butyl N-(5-formyl-1,3-thiazol-2-yl)carbamate
InChI	InChI=1S/C9H12N2O3S/c1-9(2,3)14-8(13)11-7-10-4-6(5-12)15-7/h4-5H,1-3H3,(H,10,11,13)
InChI Key	LKFCHUSAPKBABQ-UHFFFAOYSA-N
MDL Number	MFCD09834789
Molecular Formula	C9H12N2O3S
Molecular Weight	228.2682
SMILES	CC(C)(C)OC(=O)NC1=NC=C(S1)C=O
Synonyms	391668-77-2, tert-butyl (5-formylthiazol-2-yl)carbamate, tert-butyl 5-formylthiazol-2-ylcarbamate, (5-Formyl-thiazol-2-yl)-carbamic acid tert-butyl ester, tert-butyl N-(5-formyl-1,3-thiazol-2-yl)carbamate, TERT-BUTYL N-(5-FORMYLTHIAZOL-2-YL)CARBAMATE, Carbamic acid, (5-formyl-2-thiazolyl)-, 1,1-dimethylethyl ester, PubChem9964, SCHEMBL640612, CTK4I1018, DTXSID10693866, LKFCHUSAPKBABQ-UHFFFAOYSA-N, ANW-72764, MFCD09834789, ZINC44139514, AKOS015904480, AB52786, CF-1167, CM10834, RP05460, KS-000004O7, AS-53636, SC-07780, AJ-109447, DB-069769, TC-161509, CS-0054089, FT-0685259, Y5410, tert-Butyl 5-formyl-1,3-thiazol-2-ylcarbamate, 2-tert-butyloxycarbonylaminothiazole-5-carbaldehyde, A824436, J-524737, (5-Formylthiazol-2-yl)carbamic acid tert-butyl ester, I14-16987, N-(5-formyl-2-thiazolyl)carbamic acid tert-butyl ester, tert-butyl N-(5-methanoyl-1,3-thiazol-2-yl)carbamate, (5-FORMYL-THIAZOL-2-YL)-CARBAMIC ACID TERT-BUTYL E, TERT-BUTYL (5-FORMYL-1,3-THIAZOL-2-YL)CARBAMATE, Carbamic acid,N-(5-formyl-2-thiazolyl)-, 1,1-dimethylethyl ester, hiazol-2-ylcarbamate, C9H12N2O3S, -CARBAMICACIDTERT-BUTYLESTER, tert-Butyl(5-formylthiazol-2-yl)carbamate,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.057g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.266g/mol
Monoisotopic Mass	228.057g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	96.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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