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Home Boronic acids Isoquinoline-4-boronic acid, neopentyl glycol ester

Isoquinoline-4-boronic acid, neopentyl glycol ester

CAS No.:
844891-01-6
Catalog Number:
AG003K54
Molecular Formula:
C14H16BNO2
Molecular Weight:
241.0933
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$138
- +
5g
95%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG003K54
Chemical Name:
Isoquinoline-4-boronic acid, neopentyl glycol ester
CAS Number:
844891-01-6
Molecular Formula:
C14H16BNO2
Molecular Weight:
241.0933
MDL Number:
MFCD06659058
IUPAC Name:
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline
InChI:
InChI=1S/C14H16BNO2/c1-14(2)9-17-15(18-10-14)13-8-16-7-11-5-3-4-6-12(11)13/h3-8H,9-10H2,1-2H3
InChI Key:
AQEZCUCPPAKCLQ-UHFFFAOYSA-N
SMILES:
CC1(C)COB(OC1)c1cncc2c1cccc2
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.127g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.097g/mol
Monoisotopic Mass:
241.127g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties