AI64581
956317-36-5 | 5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI64581
ChemicalName
5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid
CasNumber
956317-36-5
MolecularFormula
C10H9N3O2
MolecularWeight
203.19736
MdlNumber
MFCD18382679
Smiles
Cc1ccc(c(c1)C(=O)O)n1nccn1
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AI64581
ChemicalName: 5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid
CasNumber: 956317-36-5
MolecularFormula: C10H9N3O2
MolecularWeight: 203.19736
MdlNumber: MFCD18382679
Smiles: Cc1ccc(c(c1)C(=O)O)n1nccn1
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AI64581
ChemicalName:
5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid
CasNumber:
956317-36-5
MolecularFormula:
C10H9N3O2
MolecularWeight:
203.19736
MdlNumber:
MFCD18382679
Smiles:
Cc1ccc(c(c1)C(=O)O)n1nccn1
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC1CNCCN(C1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
OC1CNCCN(C1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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ChemicalName: __
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Smiles: O=C(c1ccc(cc1)Br)N1CCC(CC1)C(F)(F)F
Complexity: __
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Smiles:
O=C(c1ccc(cc1)Br)N1CCC(CC1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: Brc1cccc(c1)n1nc(cc1N)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc(c1)n1nc(cc1N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__