AE20246
1072946-15-6 | N-(3,4-Difluorophenyl) 3-boronobenzamide
Manufacturer: A2B Chem
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CatalogNumber
AE20246
ChemicalName
N-(3,4-Difluorophenyl) 3-boronobenzamide
CasNumber
1072946-15-6
MolecularFormula
C13H10BF2NO3
MolecularWeight
277.0312
MdlNumber
MFCD09972116
Smiles
OB(c1cccc(c1)C(=O)Nc1ccc(c(c1)F)F)O
Complexity
346
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
3
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CatalogNumber: AE20246
ChemicalName: N-(3,4-Difluorophenyl) 3-boronobenzamide
CasNumber: 1072946-15-6
MolecularFormula: C13H10BF2NO3
MolecularWeight: 277.0312
MdlNumber: MFCD09972116
Smiles: OB(c1cccc(c1)C(=O)Nc1ccc(c(c1)F)F)O
Complexity: 346
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AE20246
ChemicalName:
N-(3,4-Difluorophenyl) 3-boronobenzamide
CasNumber:
1072946-15-6
MolecularFormula:
C13H10BF2NO3
MolecularWeight:
277.0312
MdlNumber:
MFCD09972116
Smiles:
OB(c1cccc(c1)C(=O)Nc1ccc(c(c1)F)F)O
Complexity:
346
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: AE20247
ChemicalName: 3-Cyano-5-methoxyphenylboronic acid, pinacol ester
CasNumber: 1035266-33-1
MolecularFormula: C14H18BNO3
MolecularWeight: 259.1086
MdlNumber: MFCD11855976
Smiles: COc1cc(C#N)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 371
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
CatalogNumber:
AE20247
ChemicalName:
3-Cyano-5-methoxyphenylboronic acid, pinacol ester
CasNumber:
1035266-33-1
MolecularFormula:
C14H18BNO3
MolecularWeight:
259.1086
MdlNumber:
MFCD11855976
Smiles:
COc1cc(C#N)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
371
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc2c1nccc2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc2c1nccc2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AE20249
ChemicalName: 2-Chloro-6-fluoro-3-methoxyphenylboronic acid
CasNumber: 1072945-77-7
MolecularFormula: C7H7BClFO3
MolecularWeight: 204.3911
MdlNumber: MFCD09972096
Smiles: COc1ccc(c(c1Cl)B(O)O)F
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AE20249
ChemicalName:
2-Chloro-6-fluoro-3-methoxyphenylboronic acid
CasNumber:
1072945-77-7
MolecularFormula:
C7H7BClFO3
MolecularWeight:
204.3911
MdlNumber:
MFCD09972096
Smiles:
COc1ccc(c(c1Cl)B(O)O)F
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2