AG00DC11

4583-55-5 | 5-Bromo-2,3-dimethylindole

AG00DC11

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CAS Number	4583-55-5
Catalog Number	AG00DC11(AGN-PC-0NKB09)
Chemical Name	5-Bromo-2,3-dimethylindole
IUPAC Name	5-bromo-2,3-dimethyl-1H-indole
InChI	InChI=1S/C10H10BrN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3
InChI Key	IOGAIEWEHFPGNO-UHFFFAOYSA-N
MDL Number	MFCD00850844
Molecular Formula	C10H10BrN
Molecular Weight	224.0971
SMILES	CC1=C(C)NC2=C1C=C(Br)C=C2
Synonyms	5-bromo-2,3-dimethyl-1H-indole, 4583-55-5, 5-Bromo-2,3-dimethylindole, 1H-Indole, 5-bromo-2,3-dimethyl-, 5-Bromo-2,3-dimethylindol, SCHEMBL410289, 2,3-Dimethyl-5-brom-indol;, 5-Brom-2,3-dimethyl-indol;, 5-Bromo-2,3-dimethylindole;, 5-bromo-2,3-dimethyl-indole;, CTK8B8799, KS-00000OPK, DTXSID30510046, IOGAIEWEHFPGNO-UHFFFAOYSA-N, 2,3-Dimethyl-5-bromo-1H-indole, 5-bromo-2,3-dimethyl-1H-indole;, ALBB-030056, ZINC9592650, ANW-61286, EBD437362, MFCD00850844, STL428852, AKOS000283161, MCULE-5365768468, AC-26894, AJ-59579, AK-49810, AS-19043, SC-92606, AB0031208, TC-150031, B5272, ST24044390, X4207, AF-963/00523045, I10-0659, C10H10BrN, ACN-036124,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.101g/mol
Monoisotopic Mass	223g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	15.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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