AG00ECDV

630423-36-8 | Isoquinoline, 1,7-dichloro-4-methoxy-

AG00ECDV

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CAS Number	630423-36-8
Catalog Number	AG00ECDV(AGN-PC-0WAME5)
Chemical Name	Isoquinoline, 1,7-dichloro-4-methoxy-
IUPAC Name	1,7-dichloro-4-methoxyisoquinoline
InChI	InChI=1S/C10H7Cl2NO/c1-14-9-5-13-10(12)8-4-6(11)2-3-7(8)9/h2-5H,1H3
InChI Key	HOBCGPSQZNVUSJ-UHFFFAOYSA-N
MDL Number	MFCD17012717
Molecular Formula	C10H7Cl2NO
Molecular Weight	228.0747
SMILES	COC1=CN=C(Cl)C2=C1C=CC(Cl)=C2
Synonyms	1,7-DICHLORO-4-METHOXYISOQUINOLINE, 630423-36-8, ISOQUINOLINE, 1,7-DICHLORO-4-METHOXY-, AK185761, SCHEMBL883238, HOBCGPSQZNVUSJ-UHFFFAOYSA-N, BCP14719, CS-M1651, KS-00000T8W, 3040AH, MFCD17012717, ZINC95708159, AKOS025403832, FCH1351648, PB28632, AC-28956, DS-10063, D5182, FT-0722583, Q-1480, C10H7Cl2NO,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.99g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.072g/mol
Monoisotopic Mass	226.99g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	22.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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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