AI38798
1701449-28-6 | 8-Fluoro-2,3-dihydro-1,4-benzoxazine-6-boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AI38798
ChemicalName
8-Fluoro-2,3-dihydro-1,4-benzoxazine-6-boronic acid
CasNumber
1701449-28-6
MolecularFormula
C8H9BFNO3
MolecularWeight
196.9714
MdlNumber
MFCD20441849
Smiles
OB(c1cc2NCCOc2c(c1)F)O
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
1
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CatalogNumber: AI38798
ChemicalName: 8-Fluoro-2,3-dihydro-1,4-benzoxazine-6-boronic acid
CasNumber: 1701449-28-6
MolecularFormula: C8H9BFNO3
MolecularWeight: 196.9714
MdlNumber: MFCD20441849
Smiles: OB(c1cc2NCCOc2c(c1)F)O
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AI38798
ChemicalName:
8-Fluoro-2,3-dihydro-1,4-benzoxazine-6-boronic acid
CasNumber:
1701449-28-6
MolecularFormula:
C8H9BFNO3
MolecularWeight:
196.9714
MdlNumber:
MFCD20441849
Smiles:
OB(c1cc2NCCOc2c(c1)F)O
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(cc(c1F)C(F)(F)F)B(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(cc(c1F)C(F)(F)F)B(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AI38800
ChemicalName: 2,3-Dimethoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CasNumber: 1701449-79-7
MolecularFormula: C15H20BNO4
MolecularWeight: 289.1346
MdlNumber: MFCD24448812
Smiles: COc1c(OC)cc(cc1C#N)B1OC(C(O1)(C)C)(C)C
Complexity: 415
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AI38800
ChemicalName:
2,3-Dimethoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CasNumber:
1701449-79-7
MolecularFormula:
C15H20BNO4
MolecularWeight:
289.1346
MdlNumber:
MFCD24448812
Smiles:
COc1c(OC)cc(cc1C#N)B1OC(C(O1)(C)C)(C)C
Complexity:
415
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
CatalogNumber: AI38801
ChemicalName: 3,4-Dichloro-5-methoxyphenylphenylboronic acid, pinacol ester
CasNumber: 1701449-89-9
MolecularFormula: C13H17BCl2O3
MolecularWeight: 302.9893
MdlNumber: MFCD19237221
Smiles: COc1cc(cc(c1Cl)Cl)B1OC(C(O1)(C)C)(C)C
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
CatalogNumber:
AI38801
ChemicalName:
3,4-Dichloro-5-methoxyphenylphenylboronic acid, pinacol ester
CasNumber:
1701449-89-9
MolecularFormula:
C13H17BCl2O3
MolecularWeight:
302.9893
MdlNumber:
MFCD19237221
Smiles:
COc1cc(cc(c1Cl)Cl)B1OC(C(O1)(C)C)(C)C
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2