Home Carboxys 1H-Indole-1-carboxylic acid, 2-borono-4-fluoro-, 1-(1,1-dimethylethyl) ester

1H-Indole-1-carboxylic acid, 2-borono-4-fluoro-, 1-(1,1-dimethylethyl) ester

CAS No.:
1000068-25-6
Catalog Number:
AG00009G
Molecular Formula:
C13H15BFNO4
Molecular Weight:
279.0719

SDS

Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
in stock
China
$111
- +
250mg
97%
in stock
China
$176
- +
Product Description
Catalog Number:
AG00009G
Chemical Name:
1H-Indole-1-carboxylic acid, 2-borono-4-fluoro-, 1-(1,1-dimethylethyl) ester
CAS Number:
1000068-25-6
Molecular Formula:
C13H15BFNO4
Molecular Weight:
279.0719
MDL Number:
MFCD11109421
IUPAC Name:
[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10-6-4-5-9(15)8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
InChI Key:
GIHZCAVQMVZATP-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(n1C(=O)OC(C)(C)C)cccc2F)O
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.108g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
279.074g/mol
Monoisotopic Mass:
279.108g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties