AG002O9X

244768-32-9 | Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-

AG002O9X

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CAS Number	244768-32-9
Catalog Number	AG002O9X(AGN-PC-0NHGWB)
Chemical Name	Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-
EC Number	607-384-4
IUPAC Name	4-[(4-chloropyrimidin-2-yl)amino]benzonitrile
InChI	InChI=1S/C11H7ClN4/c12-10-5-6-14-11(16-10)15-9-3-1-8(7-13)2-4-9/h1-6H,(H,14,15,16)
InChI Key	QXCHAADSAYQDHL-UHFFFAOYSA-N
MDL Number	MFCD08443699
Molecular Formula	C11H7ClN4
Molecular Weight	230.6531
SMILES	ClC1=CC=NC(NC2=CC=C(C=C2)C#N)=N1
Synonyms	244768-32-9, 4-((4-Chloropyrimidin-2-yl)amino)benzonitrile, 4-[(4-Chloro-2-pyrimidinyl)amino]benzonitrile, 4-(4-chloropyrimidin-2-ylamino)benzonitrile, Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-, 4-[(4-chloropyrimidin-2-yl)amino]benzonitrile, 4-N[2(4-CHLOROPYRIMIDINYL)]AMINO BENZONITRILE, 4-[(4-Chloro-2-pyrimidinyl)amino]-benzonitrile, W-206895, 4-[(4-chloro-2-pyrimidinyl)amino)benzonitrile, SCHEMBL867999, CTK1A0375, DTXSID90458374, QXCHAADSAYQDHL-UHFFFAOYSA-N, BCP23055, ZINC8700528, ANW-54491, CL4549, MFCD08443699, AKOS015917905, HE-0022, MCULE-8320641453, QC-1748, RP05537, KS-000026L5, AC-27707, ACM244768329, AJ-58395, AK-84658, OR345057, AB0040767, AX8099248, TC-143236, 4CH-023695, A5035, FT-0664940, ST24042738, Y8418, 4-(4-chloro-pyrimidin-2-ylamino)benzonitrile, 4-(4-chloropyrimidin-2-ylamino)-benzonitrile, 4-[(4chloro-2-pyrimidinyl)amino]benzonitrile, 4[(4-chloro-2-pyrimidinyl)amino]benzonitrile, 4-(4-Chloro-pyrimidin-2-ylamino)-benzonitrile, C67450, Ncn[2(4-chloropyrimidinyl)]-amino benzonitrile, X-3218, 4-[(4-Chloro-pyrimidin-2-yl)amino]-benzonitrile, 768N329, C-39506, A1-04830, I14-9228, C11H7ClN4, 4-N[2 ]-AMINOBENZONITRILE, ACN-028673, CS-O-31749, CID11195595, EC 607-384-4, 4-N[2(4-chloropyrimidinyl)]-amino benzonitrile, 4-[(4-chloro-2-pyrimidinyl) amino] benzonitrile, 4-[(4-chloropyrimidin-2-yl)amino]benzonitrile =, 4-(4-Chloro-pyrimidin-2-ylamino)-benzonitrile - 5G 5g,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.036g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.655g/mol
Monoisotopic Mass	230.036g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number