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Home > Boronic Acids > 913835-41-3
913835-41-3 | 4-(BENZYL(ETHYL)CARBAMOYL)PHENYLBORONIC ACID
CAS No: 913835-41-3 Catalog No: AG00GTD5 MDL No:MFCD09027215
Product Description
Catalog Number:
AG00GTD5
Chemical Name:
4-(BENZYL(ETHYL)CARBAMOYL)PHENYLBORONIC ACID
CAS Number:
913835-41-3
Molecular Formula:
C16H18BNO3
Molecular Weight:
283.1300
MDL Number:
MFCD09027215
IUPAC Name:
[4-[benzyl(ethyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C16H18BNO3/c1-2-18(12-13-6-4-3-5-7-13)16(19)14-8-10-15(11-9-14)17(20)21/h3-11,20-21H,2,12H2,1H3
InChI Key:
JXQDQZJKWVFJKV-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1ccc(cc1)B(O)O)Cc1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.138g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.134g/mol
Monoisotopic Mass:
283.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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