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Home > Boronic Acids > 56311-13-8
56311-13-8 | BORONIC ACID, [4-(PHENYLMETHYL)PHENYL]-
CAS No: 56311-13-8 Catalog No: AG00E8OY MDL No:MFCD08729295
Product Description
Catalog Number:
AG00E8OY
Chemical Name:
BORONIC ACID, [4-(PHENYLMETHYL)PHENYL]-
CAS Number:
56311-13-8
Molecular Formula:
C13H13BO2
Molecular Weight:
212.0521
MDL Number:
MFCD08729295
IUPAC Name:
(4-benzylphenyl)boronic acid
InChI:
InChI=1S/C13H13BO2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,15-16H,10H2
InChI Key:
LPXRLRBXBWDOPK-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)Cc1ccccc1)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.055g/mol
Monoisotopic Mass:
212.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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