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101251-09-6 | Boronic acid, B-[4-(acetylamino)phenyl]-
CAS No: 101251-09-6 Catalog No: AG00041I MDL No:MFCD02179451
Product Description
Catalog Number:
AG00041I
Chemical Name:
Boronic acid, B-[4-(acetylamino)phenyl]-
CAS Number:
101251-09-6
Molecular Formula:
C8H10BNO3
Molecular Weight:
178.9809
MDL Number:
MFCD02179451
IUPAC Name:
(4-acetamidophenyl)boronic acid
InChI:
InChI=1S/C8H10BNO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key:
VYEWTHXZHHATTA-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)NC(=O)C)O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
178.982g/mol
Monoisotopic Mass:
179.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Stereocontrolled photodimerization with congested 1,8-bis(4'-anilino)naphthalene templates. | The Journal of organic chemistry 20101001 |
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