AG007YO2

152213-66-6 | 1H-Indole-3-aceticacid,6-bromo-(9CI)

AG007YO2

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CAS Number	152213-66-6
Catalog Number	AG007YO2(AGN-PC-03S0JI)
Chemical Name	1H-Indole-3-aceticacid,6-bromo-(9CI)
IUPAC Name	2-(6-bromo-1H-indol-3-yl)acetic acid
InChI	InChI=1S/C10H8BrNO2/c11-7-1-2-8-6(3-10(13)14)5-12-9(8)4-7/h1-2,4-5,12H,3H2,(H,13,14)
InChI Key	BSYVHEMZTXJMFN-UHFFFAOYSA-N
MDL Number	MFCD09954810
Molecular Formula	C10H8BrNO2
Molecular Weight	254.0800
SMILES	O=C(O)CC1=CNC2=C1C=CC(Br)=C2
Synonyms	2-(6-Bromo-1H-indol-3-yl)acetic acid, 152213-66-6, 2-(6-Bromo-1H-indol -3-yl)acetic acid, 1H-Indole-3-aceticacid, 6-bromo-, (6-BROMO-1H-INDOL-3-YL)ACETIC ACID, 1H-Indole-3-acetic acid, 6-bromo-, ACMC-209xgu, 6-Bromoindole-3-acetic acid, SCHEMBL4484622, CTK0G9538, 6-Bromo-1H-indole-3-aceticacid, DTXSID40626081, BSYVHEMZTXJMFN-UHFFFAOYSA-N, 6-Bromo-1H-indole-3-acetic acid, ANW-47644, BBL036736, MFCD09954810, ZINC11920387, AKOS011637571, MCULE-5576207368, VI30319, 1H-Indole-3-aceticacid,6-bromo-(9CI), AJ-60536, AS-47705, BR-79513, SC-49348, SY043026, DB-063937, TC-136389, 2-Bromo-1H-indole-3-aceticacid methyl ester, FT-0770177, ST24021809, W3321, MFCD09954810 (95%), S-7273, F2169-0442, C10H8BrNO2, 1912-35-2,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.974g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	254.083g/mol
Monoisotopic Mass	252.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

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