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Home > Boronic Acids > 913835-84-4
913835-84-4 | (4-(Cyclohexyl(methyl)carbamoyl)phenyl)boronic acid
CAS No: 913835-84-4 Catalog No: AG006NKD MDL No:MFCD09027224
Product Description
Catalog Number:
AG006NKD
Chemical Name:
(4-(Cyclohexyl(methyl)carbamoyl)phenyl)boronic acid
CAS Number:
913835-84-4
Molecular Formula:
C14H20BNO3
Molecular Weight:
261.1245
MDL Number:
MFCD09027224
IUPAC Name:
[4-[cyclohexyl(methyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H20BNO3/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(10-8-11)15(18)19/h7-10,13,18-19H,2-6H2,1H3
InChI Key:
HJTPGROLNSBJDQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)N(C1CCCCC1)C)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.154g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.128g/mol
Monoisotopic Mass:
261.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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