AG004JU9

85462-60-8 | 4,5-Difluoro-2-methylindole

AG004JU9

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CAS Number	85462-60-8
Catalog Number	AG004JU9(AGN-PC-00LCUU)
Chemical Name	4,5-Difluoro-2-methylindole
IUPAC Name	4,5-difluoro-2-methyl-1H-indole
InChI	InChI=1S/C9H7F2N/c1-5-4-6-8(12-5)3-2-7(10)9(6)11/h2-4,12H,1H3
InChI Key	LTYZOUVRTGPHQM-UHFFFAOYSA-N
MDL Number	MFCD03839913
Molecular Formula	C9H7F2N
Molecular Weight	167.1554
SMILES	FC1C(=CC=C2C=1C=C(C)N2)F
Synonyms	4,5-Difluoro-2-methylindole, 85462-60-8, 4,5-difluoro-2-methyl-1h-indole, 1H-INDOLE, 4,5-DIFLUORO-2-METHYL-, 2-METHYL-4,5-DIFLUOROINDOLE, AK-26368, Q-102088, PubChem9373, SCHEMBL12475636, CTK5F5060, DTXSID80525903, LTYZOUVRTGPHQM-UHFFFAOYSA-N, ACT10435, KS-00000JQ9, ZINC2512982, ANW-48476, CD-793, FCH921102, MFCD03839913, AKOS006346717, AB16306, AC-6648, AN-9820, DS-1444, NF10243, AJ-36743, BR-26368, CJ-08667, AB0007584, AX8022863, DB-031797, ST2410891, TC-061123, 4CH-011677, FT-0630307, V1751, S-6330, 462D608, I01-2132, C9H7F2N, A10234,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.055g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.159g/mol
Monoisotopic Mass	167.055g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	15.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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