AG003KJF

5305-45-3 | 4,6-Dichloropyrimidine-5-carbonitrile

AG003KJF

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CAS Number	5305-45-3
Catalog Number	AG003KJF(AGN-PC-0JTK8A)
Chemical Name	4,6-Dichloropyrimidine-5-carbonitrile
IUPAC Name	4,6-dichloropyrimidine-5-carbonitrile
InChI	InChI=1S/C5HCl2N3/c6-4-3(1-8)5(7)10-2-9-4/h2H
InChI Key	IPEBKIMUIHKZJP-UHFFFAOYSA-N
MDL Number	MFCD08460393
Molecular Formula	C5HCl2N3
Molecular Weight	173.9875
SMILES	ClC1=NC=NC(=C1C#N)Cl
Synonyms	4,6-dichloropyrimidine-5-carbonitrile, 5305-45-3, 4,6-Dichloro-5-cyanopyrimidine, 4,6-dichloro-pyrimidine-5-carbonitrile, 5-Pyrimidinecarbonitrile, 4,6-dichloro-, IPEBKIMUIHKZJP-UHFFFAOYSA-N, AK-31007, AC1LCCTO, SCHEMBL287569, CTK1G1514, DTXSID60344775, BCP23908, CS-D1611, ANW-51294, EBD210931, FCH861608, MFCD08460393, ZINC32211751, 4,6-Dichloro-5-pyrimidinecarbonitrile, AKOS006290978, ACM5305453, GS-5883, HP23913, OR51918, PB29545, QC-1795, RP23589, RP23591, TRA0089657, KS-000008C6, 4,6-Dichloro-5-pyrimidinecarbonitrile #, AJ-85016, BR-31007, CJ-17927, SC-86264, SY006107, AB0028195, AX8160348, DB-010244, ST1141004, TR-036992, 4CH-000429, AM20100300, FT-0698539, X0244, MFCD08460393 (98%), S-6959, I03-0694, J-514152, C5HCl2N3, CID599371, ACN-030155,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.955g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.984g/mol
Monoisotopic Mass	172.955g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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