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Home > Boronic Acids > 1256345-61-5

1256345-61-5

1256345-61-5 | Boronic acid, B-[5-cyano-2-(methoxymethoxy)phenyl]-

CAS No: 1256345-61-5 Catalog No: AG000O04 MDL No:MFCD17015728

Product Description

Catalog Number:
AG000O04
Chemical Name:
Boronic acid, B-[5-cyano-2-(methoxymethoxy)phenyl]-
CAS Number:
1256345-61-5
Molecular Formula:
C9H10BNO4
Molecular Weight:
206.9910
MDL Number:
MFCD17015728
IUPAC Name:
[5-cyano-2-(methoxymethoxy)phenyl]boronic acid
InChI:
InChI=1S/C9H10BNO4/c1-14-6-15-9-3-2-7(5-11)4-8(9)10(12)13/h2-4,12-13H,6H2,1H3
InChI Key:
BUHZZHJTWFVDGW-UHFFFAOYSA-N
SMILES:
COCOc1ccc(cc1B(O)O)C#N

Properties

Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.07g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.992g/mol
Monoisotopic Mass:
207.07g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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