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4-(tert-butylcarbamoyl)phenylboronic acid

4-(tert-butylcarbamoyl)phenylboronic acid

CAS: 850568-14-8

Formula: C11H16BNO3

SMILES: CC(C)(C)NC(=O)C1=CC=C(C=C1)B(O)O

IUPAC: [4-(tert-butylcarbamoyl)phenyl]boronic acid

InChI: InChI=1S/C11H16BNO3/c1-11(2,3)13-10(14)8-4-6-9(7-5-8)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)

Composition: C (59.77%), H (7.30%), B (4.89%), N (6.34%), O (21.71%)

Molar Mass: 221.06

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 221.122323
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey JAIIZPWLCVMPFA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.38
Topological Polar Surface Area 69.56
Polarizability 23.73
Ring Count 1
Rotatable Bond Count 3

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