AE16368
111198-08-4 | 1H-Benzotriazole-1-acetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE16368
ChemicalName
1H-Benzotriazole-1-acetonitrile
CasNumber
111198-08-4
MolecularFormula
C8H6N4
MolecularWeight
158.16
MdlNumber
MFCD00082568
Smiles
N#CCn1nnc2c1cccc2
Complexity
206
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AE16368
ChemicalName: 1H-Benzotriazole-1-acetonitrile
CasNumber: 111198-08-4
MolecularFormula: C8H6N4
MolecularWeight: 158.16
MdlNumber: MFCD00082568
Smiles: N#CCn1nnc2c1cccc2
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AE16368
ChemicalName:
1H-Benzotriazole-1-acetonitrile
CasNumber:
111198-08-4
MolecularFormula:
C8H6N4
MolecularWeight:
158.16
MdlNumber:
MFCD00082568
Smiles:
N#CCn1nnc2c1cccc2
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.2
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Smiles: O=C(c1cc2ccccc2cc1OP(=O)(O)O)Nc1cccc(c1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
O=C(c1cc2ccccc2cc1OP(=O)(O)O)Nc1cccc(c1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Nc1sc(c(n1)C)N
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Smiles:
Nc1sc(c(n1)C)N
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: Fc1cccc(c1)C[C@]1(CCCN1)C(=O)O.Cl
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MolecularFormula:
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MdlNumber:
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Smiles:
Fc1cccc(c1)C[C@]1(CCCN1)C(=O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__