AF57773
4144-64-3 | Benzotriazol-1-yl-acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AF57773
ChemicalName
Benzotriazol-1-yl-acetic acid
CasNumber
4144-64-3
MolecularFormula
C8H7N3O2
MolecularWeight
177.16008
MdlNumber
MFCD00553342
Smiles
OC(=O)Cn1nnc2c1cccc2
NscNumber
227393
Complexity
210
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.6
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CatalogNumber: AF57773
ChemicalName: Benzotriazol-1-yl-acetic acid
CasNumber: 4144-64-3
MolecularFormula: C8H7N3O2
MolecularWeight: 177.16008
MdlNumber: MFCD00553342
Smiles: OC(=O)Cn1nnc2c1cccc2
NscNumber: 227393
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AF57773
ChemicalName:
Benzotriazol-1-yl-acetic acid
CasNumber:
4144-64-3
MolecularFormula:
C8H7N3O2
MolecularWeight:
177.16008
MdlNumber:
MFCD00553342
Smiles:
OC(=O)Cn1nnc2c1cccc2
NscNumber:
227393
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.6
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Smiles: CC(=O)c1cc2CCCCc2cc1O
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Complexity: __
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RotatableBondCount: __
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Smiles:
CC(=O)c1cc2CCCCc2cc1O
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Smiles: C1CNCC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.Cl
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Smiles:
C1CNCC1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.Cl
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(nc1)n1cccn1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(nc1)n1cccn1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__