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957120-89-7

957120-89-7 | (7-Bromo-1H-indol-2-yl);boronic acid

CAS No: 957120-89-7 Catalog No: AG005YD8 MDL No:MFCD09800883

Product Description

Catalog Number:
AG005YD8
Chemical Name:
(7-Bromo-1H-indol-2-yl);boronic acid
CAS Number:
957120-89-7
Molecular Formula:
C8H7BBrNO2
Molecular Weight:
239.8617
MDL Number:
MFCD09800883
IUPAC Name:
(7-bromo-1H-indol-2-yl)boronic acid
InChI:
InChI=1S/C8H7BBrNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11-13H
InChI Key:
KLQBMECATXATSZ-UHFFFAOYSA-N
SMILES:
OB(c1cc2c([nH]1)c(Br)ccc2)O

Properties

Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.975g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
239.863g/mol
Monoisotopic Mass:
238.975g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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