AH89300
90178-82-8 | 3-Formyl-4-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AH89300
ChemicalName
3-Formyl-4-nitrobenzonitrile
CasNumber
90178-82-8
MolecularFormula
C8H4N2O3
MolecularWeight
176.12895999999998
MdlNumber
MFCD10696868
Smiles
O=Cc1cc(C#N)ccc1N(=O)=O
Complexity
262
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AH89300
ChemicalName: 3-Formyl-4-nitrobenzonitrile
CasNumber: 90178-82-8
MolecularFormula: C8H4N2O3
MolecularWeight: 176.12895999999998
MdlNumber: MFCD10696868
Smiles: O=Cc1cc(C#N)ccc1N(=O)=O
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AH89300
ChemicalName:
3-Formyl-4-nitrobenzonitrile
CasNumber:
90178-82-8
MolecularFormula:
C8H4N2O3
MolecularWeight:
176.12895999999998
MdlNumber:
MFCD10696868
Smiles:
O=Cc1cc(C#N)ccc1N(=O)=O
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Clc1ccc(c(c1)Cl)C(=O)c1cccc(c1)CN1CCSCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Clc1ccc(c(c1)Cl)C(=O)c1cccc(c1)CN1CCSCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: Cc1cccc(c1)C(=O)c1ccccc1CN1CC=CC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Cc1cccc(c1)C(=O)c1ccccc1CN1CC=CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(=C)C)CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(=C)C)CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__