AG003J90

1213790-87-4 | 3-Chloro-5-[(4-methoxybenzyl)oxy]benzonitrile

AG003J90

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CAS Number	1213790-87-4
Catalog Number	AG003J90(AGN-PC-0WA8H9)
Chemical Name	3-Chloro-5-[(4-methoxybenzyl)oxy]benzonitrile
IUPAC Name	3-chloro-5-[(4-methoxyphenyl)methoxy]benzonitrile
InChI	InChI=1S/C15H12ClNO2/c1-18-14-4-2-11(3-5-14)10-19-15-7-12(9-17)6-13(16)8-15/h2-8H,10H2,1H3
InChI Key	GIOWFZJLEKWQFV-UHFFFAOYSA-N
MDL Number	MFCD22574994
Molecular Formula	C15H12ClNO2
Molecular Weight	273.7143
SMILES	COC1=CC=C(COC2=CC(Cl)=CC(=C2)C#N)C=C1
Synonyms	3-Chloro-5-[(4-methoxybenzyl)oxy]benzonitrile, 1213790-87-4, KS-00000D6K, 5855AJ, ZINC90547711, AKOS024256713, TRA0050835, AS-32021, SY021979, TC-307427, Z-4659, MFCD22574994 (97+%), 3-CHLORO-5-[(4-METHOXYPHENYL)METHOXY]BENZONITRILE, C15H12ClNO2, 175883-62-2,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.055656g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	273.71g/mol
Monoisotopic Mass	273.055656g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	42.2Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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