AG003L9N

42839-04-3 | pyrimidine-4-carbonitrile

AG003L9N

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CAS Number	42839-04-3
Catalog Number	AG003L9N(AGN-PC-0N2DSZ)
Chemical Name	pyrimidine-4-carbonitrile
IUPAC Name	pyrimidine-4-carbonitrile
InChI	InChI=1S/C5H3N3/c6-3-5-1-2-7-4-8-5/h1-2,4H
InChI Key	ZIEWSZYVEDTXGH-UHFFFAOYSA-N
MDL Number	MFCD07787613
Molecular Formula	C5H3N3
Molecular Weight	105.0974
SMILES	N1=CN=C(C=C1)C#N
Synonyms	Pyrimidine-4-carbonitrile, 4-Cyanopyrimidine, 42839-04-3, 4-PYRIMIDINECARBONITRILE, PubChem21035, SCHEMBL151617, CHEMBL3352956, CTK1D5145, KS-00003SPI, DTXSID50437943, ZIEWSZYVEDTXGH-UHFFFAOYSA-N, ANW-49700, MFCD07787613, ZINC37594043, AKOS007930825, pyrimidine-4-carbonitrile, AldrichCPR, CS-W003442, HP21550, QC-5004, RP18850, SB10114, TRA0051722, AJ-94096, BR-24991, SC-21436, SY019449, TS-01528, AB0024882, DB-009969, ST2413750, TR-016690, 4CH-005506, FT-0648581, W6240, S-5949, MFCD07787613 (95+%), 839C043, A826028, I03-0686, J-515235, Z1741974493, C5H3N3, 4-Pyrimidinecarbonitrile (7CI,9CI), ACN-044991, CID10313094, A6949, C2483, 75833-38-4,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	105.033g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	105.1g/mol
Monoisotopic Mass	105.033g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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

Lot Number