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Home > Boronic Acids > 192804-36-7
192804-36-7 | Carbamic acid, N-(4-boronophenyl)-, C-(phenylmethyl) ester
CAS No: 192804-36-7 Catalog No: AG002GCB MDL No:MFCD02093055
Product Description
Catalog Number:
AG002GCB
Chemical Name:
Carbamic acid, N-(4-boronophenyl)-, C-(phenylmethyl) ester
CAS Number:
192804-36-7
Molecular Formula:
C14H14BNO4
Molecular Weight:
271.0763
MDL Number:
MFCD02093055
IUPAC Name:
[4-(phenylmethoxycarbonylamino)phenyl]boronic acid
InChI:
InChI=1S/C14H14BNO4/c17-14(20-10-11-4-2-1-3-5-11)16-13-8-6-12(7-9-13)15(18)19/h1-9,18-19H,10H2,(H,16,17)
InChI Key:
KYCQBMOJDXVNIC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)NC(=O)OCc1ccccc1)O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.079g/mol
Monoisotopic Mass:
271.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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