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Home > Boronic Acids > 871333-07-2
871333-07-2 | (3-(Ethyl(methyl);carbamoyl);phenyl);boronic acid
CAS No: 871333-07-2 Catalog No: AG008FB6 MDL No:MFCD08056369
Product Description
Catalog Number:
AG008FB6
Chemical Name:
(3-(Ethyl(methyl);carbamoyl);phenyl);boronic acid
CAS Number:
871333-07-2
Molecular Formula:
C10H14BNO3
Molecular Weight:
207.0341
MDL Number:
MFCD08056369
IUPAC Name:
[3-[ethyl(methyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C10H14BNO3/c1-3-12(2)10(13)8-5-4-6-9(7-8)11(14)15/h4-7,14-15H,3H2,1-2H3
InChI Key:
WVUBMQPFOZJFAA-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1cccc(c1)B(O)O)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.107g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.036g/mol
Monoisotopic Mass:
207.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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