AG0094KX

120285-29-2 | 3-Chloroisoquinoline-4-carbaldehyde

AG0094KX

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CAS Number	120285-29-2
Catalog Number	AG0094KX(AGN-PC-001TV5)
Chemical Name	3-Chloroisoquinoline-4-carbaldehyde
IUPAC Name	3-chloroisoquinoline-4-carbaldehyde
InChI	InChI=1S/C10H6ClNO/c11-10-9(6-13)8-4-2-1-3-7(8)5-12-10/h1-6H
InChI Key	HMSMGFVSFVMHFQ-UHFFFAOYSA-N
MDL Number	MFCD13193417
Molecular Formula	C10H6ClNO
Molecular Weight	191.6137
SMILES	ClC2=C(C1=CC=CC=C1C=N2)C=O
Synonyms	3-Chloroisoquinoline-4-carbaldehyde, 120285-29-2, AK-31032, SCHEMBL9899762, CTK8B5962, DTXSID50561717, HMSMGFVSFVMHFQ-UHFFFAOYSA-N, 3-chloro-isoquinoline-4-carbaldehyde, ANW-51444, MFCD13193417, ZINC71787929, 3-Chloro-4-isoquinolinecarboxaldehyde, AKOS015919890, FCH1147071, QC-9344, RP25115, AS-30895, BR-31032, AB0035137, AJ-118510, AX8208233, ST2410653, TC-140189, 4CH-010007, X9414, S-7050, J-512317, C10H6ClNO,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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