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4-[cyclohexyl(methyl)carbamoyl]phenylboronic acid

4-[cyclohexyl(methyl)carbamoyl]phenylboronic acid

CAS: 913835-84-4

Formula: C14H20BNO3

SMILES: CN(C1CCCCC1)C(=O)C1=CC=C(C=C1)B(O)O

IUPAC: {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

Composition: C (64.40%), H (7.72%), B (4.14%), N (5.36%), O (18.38%)

Molar Mass: 261.13

Atom Count: 39

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 261.153624
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HJTPGROLNSBJDQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.49
Topological Polar Surface Area 60.77
Polarizability 28.53
Ring Count 2
Rotatable Bond Count 3

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