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methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

CAS: 363185-87-9

Formula: C14H20BNO4

SMILES: COC(=O)C1=CC(=CC=C1N)B1OC(C)(C)C(C)(C)O1

IUPAC: methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

InChI: InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-11(16)10(8-9)12(17)18-5/h6-8H,16H2,1-5H3

Composition: C (60.68%), H (7.27%), B (3.90%), N (5.05%), O (23.09%)

Molar Mass: 277.13

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 277.148538
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DQZPCTKBZUCRNT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.44
Topological Polar Surface Area 70.78
Polarizability 29.57
Ring Count 2
Rotatable Bond Count 3

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