AC06958
874472-98-7 | 3-bromo-2-methoxybenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AC06958
ChemicalName
3-bromo-2-methoxybenzonitrile
CasNumber
874472-98-7
MolecularFormula
C8H6BrNO
MolecularWeight
212.0433
MdlNumber
MFCD09834773
Smiles
COc1c(C#N)cccc1Br
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AC06958
ChemicalName: 3-bromo-2-methoxybenzonitrile
CasNumber: 874472-98-7
MolecularFormula: C8H6BrNO
MolecularWeight: 212.0433
MdlNumber: MFCD09834773
Smiles: COc1c(C#N)cccc1Br
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AC06958
ChemicalName:
3-bromo-2-methoxybenzonitrile
CasNumber:
874472-98-7
MolecularFormula:
C8H6BrNO
MolecularWeight:
212.0433
MdlNumber:
MFCD09834773
Smiles:
COc1c(C#N)cccc1Br
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCCNC(=O)c1ccc(cc1)B(O)O
Complexity: 208
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCCNC(=O)c1ccc(cc1)B(O)O
Complexity:
208
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC06965
ChemicalName: 4-(2,2,2-Trifluoroethylaminocarbonyl)phenylboronic acid
CasNumber: 874459-90-2
MolecularFormula: C9H9BF3NO3
MolecularWeight: 246.9789
MdlNumber: MFCD08235087
Smiles: OB(c1ccc(cc1)C(=O)NCC(F)(F)F)O
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AC06965
ChemicalName:
4-(2,2,2-Trifluoroethylaminocarbonyl)phenylboronic acid
CasNumber:
874459-90-2
MolecularFormula:
C9H9BF3NO3
MolecularWeight:
246.9789
MdlNumber:
MFCD08235087
Smiles:
OB(c1ccc(cc1)C(=O)NCC(F)(F)F)O
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc(cc1)C(=O)NCC#C)O
Complexity: 263
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccc(cc1)C(=O)NCC#C)O
Complexity:
263
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__