AG00398Z

1032452-86-0 | 3-(2-Chloropyrimidin-4-yl)-1-methyl-1H-indole

AG00398Z

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CAS Number	1032452-86-0
Catalog Number	AG00398Z(AGN-PC-0WAM0F)
Chemical Name	3-(2-Chloropyrimidin-4-yl)-1-methyl-1H-indole
IUPAC Name	3-(2-chloropyrimidin-4-yl)-1-methylindole
InChI	InChI=1S/C13H10ClN3/c1-17-8-10(9-4-2-3-5-12(9)17)11-6-7-15-13(14)16-11/h2-8H,1H3
InChI Key	IIBWXYHPBMUNJP-UHFFFAOYSA-N
MDL Number	MFCD26397861
Molecular Formula	C13H10ClN3
Molecular Weight	243.6916
SMILES	CN1C=C(C2=NC(Cl)=NC=C2)C3=C1C=CC=C3
Synonyms	1032452-86-0, 3-(2-chloropyrimidin-4-yl)-1-methyl-1H-indole, 3-(2-chloropyrimidin-4-yl)-1-methylindole, AK316674, 3-(2-Chloro-4-pyrimidyl)-1-methylindole, 3-(2-Chloro-4-pyrimidinyl)-1-methyl-1H-indole, SCHEMBL5096322, IIBWXYHPBMUNJP-UHFFFAOYSA-N, CS-B0929, KS-000000JG, MFCD26397861, AKOS027250595, ZINC142497630, ACN-036297, SB15000, AC-30107, DS-11451, SC-17135, SY040537, 3-(2-chloropyrimidin-4-yl)-1-methyl-indole, MFCD26397861 (95%), 3-(2-chloro-pyrimidin-4-yl)-1-methyl-1H-indole, 1H-Indole, 3-(2-chloro-4-pyrimidinyl)-1-methyl-, 1,1-Ferrocenedicarboxaldehyde,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.056g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.694g/mol
Monoisotopic Mass	243.056g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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