AG00FBEZ

71095-42-6 | 5-Chloro-3-methylindole

AG00FBEZ

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CAS Number	71095-42-6
Catalog Number	AG00FBEZ(AGN-PC-0NEJBS)
Chemical Name	5-Chloro-3-methylindole
IUPAC Name	5-chloro-3-methyl-1H-indole
InChI	InChI=1S/C9H8ClN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,1H3
InChI Key	MWEBJGCQVFUVQL-UHFFFAOYSA-N
MDL Number	MFCD04972055
Molecular Formula	C9H8ClN
Molecular Weight	165.6195
SMILES	CC1=CNC2=C1C=C(Cl)C=C2
Synonyms	5-chloro-3-methyl-1H-indole, 71095-42-6, 5-CHLORO-3-METHYLINDOLE, 3-Methyl-5-chloro-1H-indole, SCHEMBL4086846, CTK2H5568, DTXSID50452050, 1H-Indole, 5-chloro-3-methyl-, MWEBJGCQVFUVQL-UHFFFAOYSA-N, KS-000008SU, ZINC2539050, 1027AC, KM1386, MFCD04972055, AKOS006294178, PS-5016, SB22083, AJ-38793, 5-Chloro-3-methyl-1H-indole, AldrichCPR, AB0081082, CS-0050527, FT-0692700, C9H8ClN, cc-140, CID11019213, C-5161, 5-chloro-3-methyl-1H-indole, 95% - 1G 1g,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.035g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	165.62g/mol
Monoisotopic Mass	165.035g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	15.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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