AI40831
1820706-38-4 | 2-Bromo-3-methoxy-6-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI40831
ChemicalName
2-Bromo-3-methoxy-6-nitrobenzonitrile
CasNumber
1820706-38-4
MolecularFormula
C8H5BrN2O3
MolecularWeight
257.0409
MdlNumber
MFCD26940374
Smiles
N#Cc1c(Br)c(OC)ccc1[N+](=O)[O-]
Complexity
270
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AI40831
ChemicalName: 2-Bromo-3-methoxy-6-nitrobenzonitrile
CasNumber: 1820706-38-4
MolecularFormula: C8H5BrN2O3
MolecularWeight: 257.0409
MdlNumber: MFCD26940374
Smiles: N#Cc1c(Br)c(OC)ccc1[N+](=O)[O-]
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AI40831
ChemicalName:
2-Bromo-3-methoxy-6-nitrobenzonitrile
CasNumber:
1820706-38-4
MolecularFormula:
C8H5BrN2O3
MolecularWeight:
257.0409
MdlNumber:
MFCD26940374
Smiles:
N#Cc1c(Br)c(OC)ccc1[N+](=O)[O-]
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCn1c(C)nc2c1c(Br)cc(c2)C#N
Complexity: 298
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCn1c(C)nc2c1c(Br)cc(c2)C#N
Complexity:
298
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(Br)c2c(c1)nc(o2)N
Complexity: 264
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(Br)c2c(c1)nc(o2)N
Complexity:
264
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc(c1)c1ccc(cc1F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc(c1)c1ccc(cc1F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__