AG00038X

1009334-04-6 | 3-Pyridinecarboxaldehyde, 4,5-dichloro-

AG00038X

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CAS Number	1009334-04-6
Catalog Number	AG00038X(AGN-PC-0WD8AL)
Chemical Name	3-Pyridinecarboxaldehyde, 4,5-dichloro-
IUPAC Name	4,5-dichloropyridine-3-carbaldehyde
InChI	InChI=1S/C6H3Cl2NO/c7-5-2-9-1-4(3-10)6(5)8/h1-3H
InChI Key	RYOHOUJPNPVRKU-UHFFFAOYSA-N
MDL Number	MFCD13189033
Molecular Formula	C6H3Cl2NO
Molecular Weight	176.0001
SMILES	ClC1=C(C=NC=C1Cl)C=O
Synonyms	1009334-04-6, 4,5-DICHLORONICOTINALDEHYDE, 4,5-dichloropyridine-3-carbaldehyde, 4,5-Dichloropyridine-3-carboxaldehyde, 4,5-DICHLORO-3-PYRIDINECARBOXALDEHYDE, SCHEMBL1919936, DTXSID30732468, RYOHOUJPNPVRKU-UHFFFAOYSA-N, MFCD13189033, ZINC90411175, AKOS027325801, AB67605, KS-0000057T, AS-38373, CS-0051112, Y3513, Q-7892, 3-PYRIDINECARBOXALDEHYDE, 4,5-DICHLORO-, C6H3Cl2NO,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.959g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	175.996g/mol
Monoisotopic Mass	174.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

Lot Number