AH12974
691363-31-2 | 1-Ethyl-1h-1,2,3-benzotriazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH12974
ChemicalName
1-Ethyl-1h-1,2,3-benzotriazole-5-carboxylic acid
CasNumber
691363-31-2
MolecularFormula
C9H9N3O2
MolecularWeight
191.1867
MdlNumber
MFCD05270868
Smiles
CCn1nnc2c1ccc(c2)C(=O)O
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AH12974
ChemicalName: 1-Ethyl-1h-1,2,3-benzotriazole-5-carboxylic acid
CasNumber: 691363-31-2
MolecularFormula: C9H9N3O2
MolecularWeight: 191.1867
MdlNumber: MFCD05270868
Smiles: CCn1nnc2c1ccc(c2)C(=O)O
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AH12974
ChemicalName:
1-Ethyl-1h-1,2,3-benzotriazole-5-carboxylic acid
CasNumber:
691363-31-2
MolecularFormula:
C9H9N3O2
MolecularWeight:
191.1867
MdlNumber:
MFCD05270868
Smiles:
CCn1nnc2c1ccc(c2)C(=O)O
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC[C@H]1OC(O)[C@@H]([C@H]([C@H]1O)O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MdlNumber:
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Smiles:
OC[C@H]1OC(O)[C@@H]([C@H]([C@H]1O)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: COc1cc2c(cc1OC)CCN(C2c1ccccc1)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
COc1cc2c(cc1OC)CCN(C2c1ccccc1)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)C1(C(=C)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)OC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)C1(C(=C)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)OC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__