AD40486
355022-17-2 | 4-(Isopropylamino)-3-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD40486
ChemicalName
4-(Isopropylamino)-3-nitrobenzonitrile
CasNumber
355022-17-2
MolecularFormula
C10H11N3O2
MolecularWeight
205.21323999999998
MdlNumber
MFCD02093833
Smiles
N#Cc1ccc(c(c1)[N+](=O)[O-])NC(C)C
Complexity
276
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AD40486
ChemicalName: 4-(Isopropylamino)-3-nitrobenzonitrile
CasNumber: 355022-17-2
MolecularFormula: C10H11N3O2
MolecularWeight: 205.21323999999998
MdlNumber: MFCD02093833
Smiles: N#Cc1ccc(c(c1)[N+](=O)[O-])NC(C)C
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AD40486
ChemicalName:
4-(Isopropylamino)-3-nitrobenzonitrile
CasNumber:
355022-17-2
MolecularFormula:
C10H11N3O2
MolecularWeight:
205.21323999999998
MdlNumber:
MFCD02093833
Smiles:
N#Cc1ccc(c(c1)[N+](=O)[O-])NC(C)C
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
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Smiles: OC(=O)CO/N=C(/c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
Complexity: __
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Smiles:
OC(=O)CO/N=C(/c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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Smiles: CCCCN1CC(O)[C@H]([C@@H](C1CO)O)O.Cl
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Smiles:
CCCCN1CC(O)[C@H]([C@@H](C1CO)O)O.Cl
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCn1c2C(=O)CCCc2c2c1ccc(c2)C(=O)O
Complexity: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCn1c2C(=O)CCCc2c2c1ccc(c2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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