AG003MAQ

845895-95-6 | 5,7-Dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile

AG003MAQ

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CAS Number	845895-95-6
Catalog Number	AG003MAQ(AGN-PC-07CNAA)
Chemical Name	5,7-Dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile
IUPAC Name	5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile
InChI	InChI=1S/C7H2Cl2N4/c8-5-1-6(9)13-7(12-5)4(2-10)3-11-13/h1,3H
InChI Key	KDFQVEDUSUYBCO-UHFFFAOYSA-N
MDL Number	MFCD17392854
Molecular Formula	C7H2Cl2N4
Molecular Weight	213.0236
SMILES	ClC1=NC=2N(C(=C1)Cl)N=CC2C#N
Synonyms	5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile, 845895-95-6, AK-80579, Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5,7-dichloro-, C7H2Cl2N4, SCHEMBL15288383, CTK8B5001, DTXSID20670380, KS-00000EG0, ANW-46982, MFCD17392854, ZINC71475520, AKOS015998713, CS-W018735, FCH1359319, SB16174, TRA0074537, BBV-40235426, CJ-21443, DS-15999, EN001997, QC-11314, SY011921, AB0026970, AJ-118030, AX8226149, DB-076087, TC-135727, 4CH-011446, FT-0689689, ST24023693, W8736, Z-4136, MFCD17392854 (95+%), H112562, 5,7-Dichloro-pyrazolo[1,5-a]pyrimidine-3-carbonitrile,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.966g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.021g/mol
Monoisotopic Mass	211.966g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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