AG002BTE

198904-53-9 | Benzaldehyde, 4-(2-thiazolyl)-

AG002BTE

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CAS Number	198904-53-9
Catalog Number	AG002BTE(AGN-PC-0N656L)
Chemical Name	Benzaldehyde, 4-(2-thiazolyl)-
IUPAC Name	4-(1,3-thiazol-2-yl)benzaldehyde
InChI	InChI=1S/C10H7NOS/c12-7-8-1-3-9(4-2-8)10-11-5-6-13-10/h1-7H
InChI Key	LQLBILPEELCFQI-UHFFFAOYSA-N
MDL Number	MFCD00267561
Molecular Formula	C10H7NOS
Molecular Weight	189.2337
SMILES	O=CC1=CC=C(C=C1)C1=NC=CS1
Synonyms	4-Thiazol-2-yl-benzaldehyde, 198904-53-9, 4-(thiazol-2-yl)benzaldehyde, 4-(1,3-thiazol-2-yl)benzaldehyde, Benzaldehyde, 4-(2-thiazolyl)-, Benzaldehyde,4-(2-thiazolyl)-, 4-(2-thiazolyl)benzaldehyde, AK-21126, W-206469, SCHEMBL6658, 4-(2-thiazolyl)-benzaldehyde, 4-(Thiazol-2-yl)-benzaldehyde, CTK4E2651, DTXSID80441376, LQLBILPEELCFQI-UHFFFAOYSA-N, ZINC4253641, ANW-45657, FCH833041, MFCD06797780, SBB052185, AKOS005213658, COR0003033, CS-W005358, RP03662, VZ29750, ACM198904539, AJ-49714, BR-21126, CC-20472, DS-10209, AB0023202, AX8012650, DB-001645, ST2411042, TR-009249, 4CH-007222, FT-0643854, W4212, S-2943, 4-(1,3-thiazol-2-yl)benzaldehyde, AldrichCPR, A814042, C-07980, I14-37607, C10H7NOS, CID10535655,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.025g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.232g/mol
Monoisotopic Mass	189.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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