AG0003KW

10102-94-0 | 1H-Indole-3-carboxaldehyde, 5-bromo-1-methyl-

AG0003KW

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CAS Number	10102-94-0
Catalog Number	AG0003KW(AGN-PC-0NV45G)
Chemical Name	1H-Indole-3-carboxaldehyde, 5-bromo-1-methyl-
IUPAC Name	5-bromo-1-methylindole-3-carbaldehyde
InChI	InChI=1S/C10H8BrNO/c1-12-5-7(6-13)9-4-8(11)2-3-10(9)12/h2-6H,1H3
InChI Key	NZJJLQUTQOICBN-UHFFFAOYSA-N
MDL Number	MFCD03906373
Molecular Formula	C10H8BrNO
Molecular Weight	238.0806
SMILES	O=Cc1cn(c2c1cc(Br)cc2)C
Synonyms	5-bromo-1-methyl-1H-indole-3-carbaldehyde, 10102-94-0, 5-bromo-1-methylindole-3-carbaldehyde, 1H-Indole-3-carboxaldehyde,5-bromo-1-methyl-, 1H-Indole-3-carboxaldehyde, 5-bromo-1-methyl-, CHEMBRDG-BB 5100225, AC1LFI9B, CBDivE_009519, AC1Q25Y2, SCHEMBL5437254, CTK3J9480, DTXSID70354668, NZJJLQUTQOICBN-UHFFFAOYSA-N, ZINC270396, 1-methyl-5-bromoindole-3-aldehyde, ALBB-008669, ZX-AN007574, ZX-CM015115, 7307AC, BBL025587, CB-031, FCH931286, MFCD03906373, STK501676, AKOS000104004, MCULE-7199474316, AJ-18697, AK-96626, SC-54507, 1-Methyl-5-bromo-1H-indole-3-carbaldehyde, AB0094175, DB-058552, TR-000307, FT-0679405, 5-Bromo-1-methyl-1H-indole-3- carbaldehyde, B-1758, I10-1107, C10H8BrNO, AR-1G7358, CID778451, ZINC00270396, 101-15-5,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.979g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.084g/mol
Monoisotopic Mass	236.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	22A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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