AG003L00

98600-34-1 | 4-Bromoindole-3-carboxyaldehyde

AG003L00

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CAS Number	98600-34-1
Catalog Number	AG003L00(AGN-PC-0KKPCI)
Chemical Name	4-Bromoindole-3-carboxyaldehyde
IUPAC Name	4-bromo-1H-indole-3-carbaldehyde
InChI	InChI=1S/C9H6BrNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H
InChI Key	IPAFHZDRYAWZOB-UHFFFAOYSA-N
MDL Number	MFCD05864695
Molecular Formula	C9H6BrNO
Molecular Weight	224.0540
SMILES	C2=C(C1=C(Br)C=CC=C1[NH]2)C=O
Synonyms	98600-34-1, 4-Bromoindole-3-carboxaldehyde, 4-Bromoindole-3-carboxyaldehyde, 4-bromo-1H-indole-3-carbaldehyde, 4-Bromo-3-formylindole, 4-bromo-1H-indole-3-carboxaldehyde, 4-bromoindole-3-carbaldehyde, 1H-Indole-3-carboxaldehyde, 4-bromo-, 4-bromo-3-formyl-1h-indole, CHEMBL3358227, MFCD05864695, PubChem7682, ACMC-209saq, AC1MC7XB, SCHEMBL644301, 4-bromo-indole-3-carboxaldehyde, CTK3I7971, IPAFHZDRYAWZOB-UHFFFAOYSA-, KS-00000JSS, DTXSID80376790, 4-Bomo-1H-indole-3-carbaldehyde, IPAFHZDRYAWZOB-UHFFFAOYSA-N, 4-bromo-1H-indole-3-carboaldehyde, ACN-S002853, ACT05595, BCP27246, ZINC2563719, 4-bromo-3-formylindole, AldrichCPR, 4-bromanyl-1H-indole-3-carbaldehyde, 4-BROMO-3-INDOLECARBALDEHYDE, ANW-40944, BDBM50037784, SBB005308, AKOS015835900, AB22906, AN-5515, B2058G1, CB-1015, CS-W008313, PS-3919, RP09489, TRA0075949, AC-18157, AJ-40836, AK-16410, BC003266, BR-16410, CJ-09626, SC-65756, AB0019671, AB1010275, DB-001671, TC-010762, AM20060459, B2773, C3031, FT-0656175, ST24023441, C-1634, 600B341, A845882, I10-0228, J-514725, InChI=1/C9H6BrNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H, C9H6BrNO, 5-Bromo-1H-indole-3-carbaldehyde, ZINC02563719, ACN-029618, CID2763178, V0115, A11295, 4-bromo-1H-indole-3-carbaldehyde, 95% - 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	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number