AG00D8D4

53590-50-4 | 5-Bromo-1H-indole-2-carbaldehyde

AG00D8D4

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CAS Number	53590-50-4
Catalog Number	AG00D8D4(AGN-PC-00MWRM)
Chemical Name	5-Bromo-1H-indole-2-carbaldehyde
IUPAC Name	5-bromo-1H-indole-2-carbaldehyde
InChI	InChI=1S/C9H6BrNO/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-5,11H
InChI Key	CFABANPJKXPUFN-UHFFFAOYSA-N
MDL Number	MFCD06738773
Molecular Formula	C9H6BrNO
Molecular Weight	224.0540
SMILES	O=CC(N1)=CC2=C1C=CC(Br)=C2
Synonyms	5-bromo-1H-indole-2-carbaldehyde, 53590-50-4, 5-bromo-1H-indole-2-carboxaldehyde, bromoindolecarbaldehyde, 5-Bromoindole-2-carbaldehyde, SCHEMBL4273824, CTK4J8422, DTXSID70542866, CFABANPJKXPUFN-UHFFFAOYSA-N, ALBB-005107, BB_NC-02405, CS-B1690, KS-000027FG, ZX-AN005048, ZX-CM006962, 5-bromanyl-1H-indole-2-carbaldehyde, ANW-45028, BBL030634, FCH933379, MFCD06738773, STK501581, ZINC12336780, 5-BROMOINDOLE-2-CARBOXALDEHYDE, AKOS005073262, 1H-Indole-2-carboxaldehyde, 5-bromo-, AB27864, CB-4144, LA-0923, MCULE-4163754511, MP-0451, QC-9779, RP12949, WT82505, NCGC00341256-01, AJ-61086, AK-92915, CJ-13779, EN000309, SC-62682, AB0025350, AX8028975, DB-071710, ST2418625, TR-018961, 4CH-013043, BB 0253742, FT-0679077, W6795, J3.654.995E, 5-bromo-1H-indole-2-carbaldehyde, AldrichCPR, AB01332684-02, A829674, I10-1109, J-516801, F1907-9473, C9H6BrNO, 3-bromo-N-propylbenzamide, ACN-032415, 5-Bromo-1H-indole-2-carbaldehyde, 98% - 1G 1g,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.963g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.057g/mol
Monoisotopic Mass	222.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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