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Home > Boronic Acids > 294852-07-6
294852-07-6 | Carbamic acid, (4-borono-1-naphthalenyl)-, C-(1,1-dimethylethyl) ester
CAS No: 294852-07-6 Catalog No: AG00I5G9 MDL No:MFCD24469916
Product Description
Catalog Number:
AG00I5G9
Chemical Name:
Carbamic acid, (4-borono-1-naphthalenyl)-, C-(1,1-dimethylethyl) ester
CAS Number:
294852-07-6
Molecular Formula:
C15H18BNO4
Molecular Weight:
287.1187
MDL Number:
MFCD24469916
IUPAC Name:
[4-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]boronic acid
InChI:
InChI=1S/C15H18BNO4/c1-15(2,3)21-14(18)17-13-9-8-12(16(19)20)10-6-4-5-7-11(10)13/h4-9,19-20H,1-3H3,(H,17,18)
InChI Key:
OGMYIGRGJGXLLH-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(c2c1cccc2)B(O)O
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.133g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
287.122g/mol
Monoisotopic Mass:
287.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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