Home Boronic Acids 1016644-38-4
1016644-38-4,MFCD18072745
Catalog No.:AA000512
1016644-38-4 | 2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl-boronic acid
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250mg
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$696.00   $487.00
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Technical Information
Catalog Number:
AA000512
Chemical Name:
2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl-boronic acid
CAS Number:
1016644-38-4
Molecular Formula:
C7H6BNO4
Molecular Weight:
178.9378
MDL Number:
MFCD18072745
IUPAC Name:
(2-oxo-3H-1,3-benzoxazol-6-yl)boronic acid
InChI:
InChI=1S/C7H6BNO4/c10-7-9-5-2-1-4(8(11)12)3-6(5)13-7/h1-3,11-12H,(H,9,10)
InChI Key:
PHZVOCDSNUZULP-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)oc(=O)[nH]2)O
Properties
Computed Properties
 
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.039g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
178.938g/mol
Monoisotopic Mass:
179.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
2-oxo-2,3-dihydrobenzo(d)oxazol-6-ylboronic acid 
1016644-38-4 
MFCD18072745 
AKOS016011966 
ZINC169991393 
FCH1145914 
2-Hydroxybenzo[d]oxazole-6-boronic acid 
DS-13684 
SC-52993 
AX8164465 
(2-oxo-3H-1,3-benzoxazol-6-yl)boronic acid 
(2-Oxo-2,3-dihydrobenzoxazol-6-yl)boronic acid 
(2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl)boronic acid 
2-oxo-2,3-dihydrobenzo[d]oxazol-6-ylboronic acid 
(2-Oxo-2,3-dihydro-1,3-benzoxazol-6-yl)boronic acid 
Boronic acid, B-(2,3-dihydro-2-oxo-6-benzoxazolyl)- 
C7H6BNO4 
2-OXO-3H-1,3-BENZOXAZOL-6-YLBORONIC ACID 
2-Oxo-2,3-dihydrobenzo[D]oxazol-6-yl-boronic acid 
AK-40731 
SCHEMBL3329297 
DTXSID80731603 
PHZVOCDSNUZULP-UHFFFAOYSA-N 
KS-00000I5Q 
0433AA 
Literature
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