AB40913
306935-41-1 | 1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB40913
ChemicalName
1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber
306935-41-1
MolecularFormula
C10H11N3O2
MolecularWeight
205.2132
MdlNumber
MFCD01570664
Smiles
OC(=O)c1ccc2c(c1)nnn2C(C)C
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AB40913
ChemicalName: 1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber: 306935-41-1
MolecularFormula: C10H11N3O2
MolecularWeight: 205.2132
MdlNumber: MFCD01570664
Smiles: OC(=O)c1ccc2c(c1)nnn2C(C)C
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AB40913
ChemicalName:
1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid
CasNumber:
306935-41-1
MolecularFormula:
C10H11N3O2
MolecularWeight:
205.2132
MdlNumber:
MFCD01570664
Smiles:
OC(=O)c1ccc2c(c1)nnn2C(C)C
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(C(F)(F)F)CC(=O)c1nccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(C(F)(F)F)CC(=O)c1nccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: O=Cc1ccccc1N1CCN(CC1)c1ccc(cn1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cc1ccccc1N1CCN(CC1)c1ccc(cn1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)C=Cc1ccc(cc1)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)C=Cc1ccc(cc1)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__