AG003E8C

223671-53-2 | 1-chloroisoquinoline-7-carbaldehyde

AG003E8C

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CAS Number	223671-53-2
Catalog Number	AG003E8C(AGN-PC-037D6X)
Chemical Name	1-chloroisoquinoline-7-carbaldehyde
IUPAC Name	1-chloroisoquinoline-7-carbaldehyde
InChI	InChI=1S/C10H6ClNO/c11-10-9-5-7(6-13)1-2-8(9)3-4-12-10/h1-6H
InChI Key	CIICCQLUDZKLTP-UHFFFAOYSA-N
MDL Number	MFCD09835329
Molecular Formula	C10H6ClNO
Molecular Weight	191.6137
SMILES	O=CC1=CC2=C(C=C1)C=CN=C2Cl
Synonyms	223671-53-2, 1-CHLOROISOQUINOLINE-7-CARBALDEHYDE, 1-Chloro-isoquinoline-7-carbaldehyde, 1-CHLORO-7-ISOQUINOLINECARBOXALDEHYDE, 7-ISOQUINOLINECARBOXALDEHYDE, 1-CHLORO-, MFCD09835329, ACMC-20a70q, SCHEMBL6992568, CTK4E9309, DTXSID20611278, ZX-AT001574, 1-Chloro isoquinoline-7-carbaldehyde, 1-chloroisoquinoline-7-carboxaldehyde, 1306AB, ANW-60024, CC-901, FCH874221, ZINC16697566, 7-Isoquinolinecarboxaldehyde,1-chloro, AKOS006326223, 7-Isoquinolinecarboxaldehyde,1-chloro-, AB53309, ACN-036189, QC-8231, RTC-063369, TRA0174224, KS-0000004O, AC-26694, ACM223671532, AJ-69375, AK-25213, CJ-15605, OR300075, PS-11549, SC-33958, AB0064277, AX8032726, DB-011548, TC-063369, TL8001872, A4807, FT-0646033, C-0350, C-58250, I14-11120, I14-14154, C10H6ClNO, 1-Chloro-7-formylisoquinoline,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.014g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.614g/mol
Monoisotopic Mass	191.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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