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Home > Boronic Acids > 1527479-23-7
1527479-23-7 | [4-(Adamantan-1-yl)phenyl]boronic acid
CAS No: 1527479-23-7 Catalog No: AG00HY2X MDL No:MFCD24448773
Product Description
Catalog Number:
AG00HY2X
Chemical Name:
[4-(Adamantan-1-yl)phenyl]boronic acid
CAS Number:
1527479-23-7
Molecular Formula:
C16H21BO2
Molecular Weight:
256.1477
MDL Number:
MFCD24448773
IUPAC Name:
[4-(1-adamantyl)phenyl]boronic acid
InChI:
InChI=1S/C16H21BO2/c18-17(19)15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,18-19H,5-10H2
InChI Key:
GJRCFNUBCUMANE-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)O
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.152g/mol
Monoisotopic Mass:
256.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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