AG0039VX

939986-65-9 | 6-Chloropyrimidine-4-carbonitrile

AG0039VX

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CAS Number	939986-65-9
Catalog Number	AG0039VX(AGN-PC-03S6KA)
Chemical Name	6-Chloropyrimidine-4-carbonitrile
IUPAC Name	6-chloropyrimidine-4-carbonitrile
InChI	InChI=1S/C5H2ClN3/c6-5-1-4(2-7)8-3-9-5/h1,3H
InChI Key	AJRPBTWNTZPVSO-UHFFFAOYSA-N
MDL Number	MFCD09607731
Molecular Formula	C5H2ClN3
Molecular Weight	139.5425
SMILES	N#CC1=NC=NC(Cl)=C1
Synonyms	6-chloropyrimidine-4-carbonitrile, 939986-65-9, SCHEMBL1660880, AJRPBTWNTZPVSO-UHFFFAOYSA-N, 4-CHLORO-6-CYANOPYRIMIDINE, 6-chloro-pyrimidine-4-carbonitrile, ACN-P000977, KS-000005JD, ZINC44116735, AKOS006329979, AB50837, NE59192, 6-CHLORO-4-PYRIMIDINECARBONITRILE, AK139790, BS-13154, SY099353, DB-009957, CS-0044027, FT-0746057, MFCD09607731 (95%), ACN-028451, AJ-109156,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.993725g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	139.54g/mol
Monoisotopic Mass	138.993725g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.6Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338-P310
UN Code	\N

Certificate of Analysis

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