AG76547
64910-45-8 | 4-(Methylamino)-3-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AG76547
ChemicalName
4-(Methylamino)-3-nitrobenzonitrile
CasNumber
64910-45-8
MolecularFormula
C8H7N3O2
MolecularWeight
177.1601
MdlNumber
MFCD03551829
Smiles
CNc1ccc(cc1[N+](=O)[O-])C#N
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AG76547
ChemicalName: 4-(Methylamino)-3-nitrobenzonitrile
CasNumber: 64910-45-8
MolecularFormula: C8H7N3O2
MolecularWeight: 177.1601
MdlNumber: MFCD03551829
Smiles: CNc1ccc(cc1[N+](=O)[O-])C#N
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AG76547
ChemicalName:
4-(Methylamino)-3-nitrobenzonitrile
CasNumber:
64910-45-8
MolecularFormula:
C8H7N3O2
MolecularWeight:
177.1601
MdlNumber:
MFCD03551829
Smiles:
CNc1ccc(cc1[N+](=O)[O-])C#N
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
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MolecularFormula: __
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Smiles: O[C@@H]1[C@@H](CO[Si](C(C)(C)C)(C)C)OC=C[C@H]1O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O[C@@H]1[C@@H](CO[Si](C(C)(C)C)(C)C)OC=C[C@H]1O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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__
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Smiles: Clc1ccccc1OCC1CCNCC1
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Smiles:
Clc1ccccc1OCC1CCNCC1
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)c1cnc(nc1)c1ccc(cc1)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)c1cnc(nc1)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__