AG00IMOV

1268246-12-3 | Methyl 4-(2-chloro-4-hydroxystyryl)benzoate

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CAS Number	1268246-12-3
Catalog Number	AG00IMOV(AGN-PC-0WNPV1)
Chemical Name	Methyl 4-(2-chloro-4-hydroxystyryl)benzoate
IUPAC Name	methyl 4-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoate
InChI	InChI=1S/C16H13ClO3/c1-20-16(19)13-6-3-11(4-7-13)2-5-12-8-9-14(18)10-15(12)17/h2-10,18H,1H3/b5-2+
InChI Key	ATGFXXLXIGQIDG-GORDUTHDSA-N
MDL Number	MFCD29921915
Molecular Formula	C16H13ClO3
Molecular Weight	288.7256
SMILES	ClC1=C(C=CC2=CC=C(C(=O)OC)C=C2)C=CC(=C1)O
Synonyms	Methyl 4-(2-chloro-4-hydroxystyryl)benzoate, 1268246-12-3, methyl 4-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoate, SCHEMBL12168860, MFCD29921915, SB18063, DS-12629, CS-0059784, (E)-Methyl 4-(2-chloro-4-hydroxystyryl)benzoate,

Complexity	348
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	288.055g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	288.727g/mol
Monoisotopic Mass	288.055g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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