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Home > Boronic Acids > 871333-04-9
871333-04-9 | (4-(Ethyl(methyl);carbamoyl);phenyl);boronic acid
CAS No: 871333-04-9 Catalog No: AG004TVA MDL No:MFCD08056368
Product Description
Catalog Number:
AG004TVA
Chemical Name:
(4-(Ethyl(methyl);carbamoyl);phenyl);boronic acid
CAS Number:
871333-04-9
Molecular Formula:
C10H14BNO3
Molecular Weight:
207.0341
MDL Number:
MFCD08056368
IUPAC Name:
[4-[ethyl(methyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C10H14BNO3/c1-3-12(2)10(13)8-4-6-9(7-5-8)11(14)15/h4-7,14-15H,3H2,1-2H3
InChI Key:
AWXVNEUNYSIXAD-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1ccc(cc1)B(O)O)C
Properties
Complexity:
215
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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