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Home > Boronic Acids > 1150114-33-2
1150114-33-2 | Carbamic acid, N-[(5-borono-2-thienyl)methyl]-, C-(phenylmethyl) ester
CAS No: 1150114-33-2 Catalog No: AG000FLQ MDL No:MFCD11504846
Product Description
Catalog Number:
AG000FLQ
Chemical Name:
Carbamic acid, N-[(5-borono-2-thienyl)methyl]-, C-(phenylmethyl) ester
CAS Number:
1150114-33-2
Molecular Formula:
C13H14BNO4S
Molecular Weight:
291.1306
MDL Number:
MFCD11504846
IUPAC Name:
[5-(phenylmethoxycarbonylaminomethyl)thiophen-2-yl]boronic acid
InChI:
InChI=1S/C13H14BNO4S/c16-13(19-9-10-4-2-1-3-5-10)15-8-11-6-7-12(20-11)14(17)18/h1-7,17-18H,8-9H2,(H,15,16)
InChI Key:
SQIAUEBFZXVDHP-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCc1ccc(s1)B(O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.128g/mol
Monoisotopic Mass:
291.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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