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Home Carboxys 2,3-dihydro-1H-isoindole-5-carboxylic acid hydrobromide

2,3-dihydro-1H-isoindole-5-carboxylic acid hydrobromide

CAS No.:
1258650-25-7
Catalog Number:
AG01ABFG
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
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Product Description
Catalog Number:
AG01ABFG
Chemical Name:
2,3-dihydro-1H-isoindole-5-carboxylic acid hydrobromide
CAS Number:
1258650-25-7
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD17977147
IUPAC Name:
2,3-dihydro-1H-isoindole-5-carboxylic acid;hydrobromide
InChI:
InChI=1S/C9H9NO2.BrH/c11-9(12)6-1-2-7-4-10-5-8(7)3-6;/h1-3,10H,4-5H2,(H,11,12);1H
InChI Key:
FRVDLQQVRKUAEU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)CNC2.Br
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties