Home Boronic acids 4-Nitrophenylboronic acid neopentylglycol ester

4-Nitrophenylboronic acid neopentylglycol ester

CAS No.:
502622-85-7
Catalog Number:
AG00DL8E
Molecular Formula:
C11H14BNO4
Molecular Weight:
235.0442
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Product Description
Catalog Number:
AG00DL8E
Chemical Name:
4-Nitrophenylboronic acid neopentylglycol ester
CAS Number:
502622-85-7
Molecular Formula:
C11H14BNO4
Molecular Weight:
235.0442
MDL Number:
MFCD03701688
IUPAC Name:
5,5-dimethyl-2-(4-nitrophenyl)-1,3,2-dioxaborinane
InChI:
InChI=1S/C11H14BNO4/c1-11(2)7-16-12(17-8-11)9-3-5-10(6-4-9)13(14)15/h3-6H,7-8H2,1-2H3
InChI Key:
RRGGUJKPJNSZFX-UHFFFAOYSA-N
SMILES:
CC1(C)COB(OC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.102g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.046g/mol
Monoisotopic Mass:
235.102g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties