AG00BYXL

41904-40-9 | 3-CHLOROPHENETHYLALCOHOL

AG00BYXL

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CAS Number	41904-40-9
Catalog Number	AG00BYXL(AGN-PC-0WALCA)
Chemical Name	3-CHLOROPHENETHYLALCOHOL
IUPAC Name	2-(3-chlorophenyl)acetaldehyde
InChI	InChI=1S/C8H7ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,5-6H,4H2
InChI Key	CNBOFJGDTDMTEX-UHFFFAOYSA-N
MDL Number	MFCD02261731
Molecular Formula	C8H7ClO
Molecular Weight	154.5936
SMILES	O=CCC1=CC=CC(Cl)=C1
Synonyms	2-(3-chlorophenyl)acetaldehyde, 41904-40-9, (3-Chlorophenyl)acetaldehyde, (3-CHLORO-PHENYL)-ACETALDEHYDE, 2-(3-chlorophenyl)ethanal, (3-Chloro-Phenly)-Acetaldehyde, 2-(3-Chlorophenyl)-acetaldehyde, 3-chlorophenylacetaldehyde, 3-chloroBenzeneacetaldehyde, AC1Q3I3E, SCHEMBL167780, CTK4I5411, DTXSID60468849, CNBOFJGDTDMTEX-UHFFFAOYSA-N, ZINC2581071, ANW-60970, SBB052202, AKOS010079262, AB11792, DA-19070, SC-21801, (3-chloro-phenyl)-acetaldehyde, AldrichCPR, TC-149715, FT-0694401, A825690, 3-CHLOROPHENETHYLALCOHOL, CID11579165,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.019g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.593g/mol
Monoisotopic Mass	154.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number