AG00ASDI

149968-10-5 | 1-{3-(1E)-2-(7-Chloro(2-Quinolyl))Vinylphenyl}Prop-2-En-1-Ol

AG00ASDI

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CAS Number	149968-10-5
Catalog Number	AG00ASDI(AGN-PC-0Q42Y4)
Chemical Name	1-{3-(1E)-2-(7-Chloro(2-Quinolyl))Vinylphenyl}Prop-2-En-1-Ol
IUPAC Name	1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol
InChI	InChI=1S/C20H16ClNO/c1-2-20(23)16-5-3-4-14(12-16)6-10-18-11-8-15-7-9-17(21)13-19(15)22-18/h2-13,20,23H,1H2/b10-6+
InChI Key	PITUINHIXKJYJX-UXBLZVDNSA-N
MDL Number	MFCD09833496
Molecular Formula	C20H16ClNO
Molecular Weight	321.8001
SMILES	C=CC(C1=CC=CC(/C=C/C2=NC3=CC(Cl)=CC=C3C=C2)=C1)O
Synonyms	(E)-1-(3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)prop-2-en-1-ol, 149968-10-5, PITUINHIXKJYJX-UXBLZVDNSA-N, SCHEMBL626121, DTXSID50472531, 7488AA, AK119694, AX8245110, 1-[(E)-3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl]-2-propen-1-ol, C20H16ClNO, CID11782229, 1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol,

Complexity	424
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	321.092g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	321.804g/mol
Monoisotopic Mass	321.092g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	33.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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