AB67791
38469-83-9 | 4-Methoxy-2-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB67791
ChemicalName
4-Methoxy-2-nitrobenzonitrile
CasNumber
38469-83-9
MolecularFormula
C8H6N2O3
MolecularWeight
178.1448
MdlNumber
MFCD00667741
Smiles
COc1ccc(c(c1)[N+](=O)[O-])C#N
NscNumber
149944
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AB67791
ChemicalName: 4-Methoxy-2-nitrobenzonitrile
CasNumber: 38469-83-9
MolecularFormula: C8H6N2O3
MolecularWeight: 178.1448
MdlNumber: MFCD00667741
Smiles: COc1ccc(c(c1)[N+](=O)[O-])C#N
NscNumber: 149944
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AB67791
ChemicalName:
4-Methoxy-2-nitrobenzonitrile
CasNumber:
38469-83-9
MolecularFormula:
C8H6N2O3
MolecularWeight:
178.1448
MdlNumber:
MFCD00667741
Smiles:
COc1ccc(c(c1)[N+](=O)[O-])C#N
NscNumber:
149944
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: AB67792
ChemicalName: 4-Methoxy-2-nitrophenylboronic acid, pinacol ester
CasNumber: 1073353-81-7
MolecularFormula: C13H18BNO5
MolecularWeight: 279.0967
MdlNumber: MFCD10699701
Smiles: COc1ccc(c(c1)[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: 365
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB67792
ChemicalName:
4-Methoxy-2-nitrophenylboronic acid, pinacol ester
CasNumber:
1073353-81-7
MolecularFormula:
C13H18BNO5
MolecularWeight:
279.0967
MdlNumber:
MFCD10699701
Smiles:
COc1ccc(c(c1)[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
NscNumber:
__
Complexity:
365
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(/N=N/c2ccccc2)c(c2c1cccc2)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(/N=N/c2ccccc2)c(c2c1cccc2)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1S(=O)(=O)C)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1S(=O)(=O)C)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__