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4-{[(1r,4r)-4-hydroxycyclohexyl]carbamoyl}phenylboronic acid

4-{[(1r,4r)-4-hydroxycyclohexyl]carbamoyl}phenylboronic acid

CAS: 957062-70-3

Formula: C13H18BNO4

SMILES: OB(O)C1=CC=C(C=C1)C(=O)N[C@H]1CC[C@H](O)CC1

IUPAC: (4-{[(1r,4r)-4-hydroxycyclohexyl]carbamoyl}phenyl)boronic acid

InChI: InChI=1/C13H18BNO4/c16-12-7-5-11(6-8-12)15-13(17)9-1-3-10(4-2-9)14(18)19/h1-4,11-12,16,18-19H,5-8H2,(H,15,17)/t11-,12-

Composition: C (59.35%), H (6.90%), B (4.11%), N (5.32%), O (24.32%)

Molar Mass: 263.1

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 263.132888
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 4
InChIKey YSXTWFABWWVVAX-HAQNSBGRNA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.26
Topological Polar Surface Area 89.79
Polarizability 27.33
Ring Count 2
Rotatable Bond Count 3

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