AG008BTL

885465-97-4 | 3-Thiazol-2-yl-benzaldehyde

AG008BTL

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CAS Number	885465-97-4
Catalog Number	AG008BTL(AGN-PC-01XFRF)
Chemical Name	3-Thiazol-2-yl-benzaldehyde
IUPAC Name	3-(1,3-thiazol-2-yl)benzaldehyde
InChI	InChI=1S/C10H7NOS/c12-7-8-2-1-3-9(6-8)10-11-4-5-13-10/h1-7H
InChI Key	YJMGIEKCDQXKKZ-UHFFFAOYSA-N
MDL Number	MFCD06797781
Molecular Formula	C10H7NOS
Molecular Weight	189.2337
SMILES	O=CC1=CC=CC(C2=NC=CS2)=C1
Synonyms	3-Thiazol-2-yl-benzaldehyde, 885465-97-4, 3-(1,3-thiazol-2-yl)benzaldehyde, 3-(thiazol-2-yl)benzaldehyde, Benzaldehyde,3-(2-thiazolyl)-, Benzaldehyde, 3-(2-thiazolyl)-, SCHEMBL4541318, CTK5G0724, DTXSID70594486, YJMGIEKCDQXKKZ-UHFFFAOYSA-N, ZINC4253648, ANW-45593, FCH833055, MFCD06797781, SBB090976, AKOS005213669, RP03664, AJ-49715, AK-21143, BR-21143, DS-10210, EN001822, AX8159493, DB-001852, TR-027828, FT-0751460, ST24028621, W9105, 3-(1,3-Thiazol-2-yl)benzaldehyde AldrichCPR, S-2926, 3-(1,3-Thiazol-2-yl)benzaldehyde, AldrichCPR, J-510415, I14-90915, 3- BENZALDEHYDE, 2-fluoro-4-methyaniline, C10H7NOS,

Complexity	186
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	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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