AG004UBI

860624-88-0 | Methyl 5-bromoindoline-7-carboxylate

AG004UBI

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CAS Number	860624-88-0
Catalog Number	AG004UBI(AGN-PC-086E6X)
Chemical Name	Methyl 5-bromoindoline-7-carboxylate
IUPAC Name	methyl 5-bromo-2,3-dihydro-1H-indole-7-carboxylate
InChI	InChI=1S/C10H10BrNO2/c1-14-10(13)8-5-7(11)4-6-2-3-12-9(6)8/h4-5,12H,2-3H2,1H3
InChI Key	AXFDCMFCJPYARR-UHFFFAOYSA-N
MDL Number	MFCD11845501
Molecular Formula	C10H10BrNO2
Molecular Weight	256.0959
SMILES	O=C(C1=CC(Br)=CC2=C1NCC2)OC
Synonyms	860624-88-0, Methyl 5-bromoindoline-7-carboxylate, 5-Bromo-indoline-7-carboxylic acid methyl ester, Methyl 5-bromo-2,3-dihydro-1H-indole-7-carboxylate, 1H-Indole-7-carboxylic acid, 5-bromo-2,3-dihydro-, methyl ester, SCHEMBL551872, CTK2I3759, DTXSID10677969, AXFDCMFCJPYARR-UHFFFAOYSA-N, MFCD11845501, ZINC43220674, AKOS022182589, AK-74317, AJ-108545, FT-0767053, W-3110,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.989g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	256.099g/mol
Monoisotopic Mass	254.989g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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