AA84662
162848-16-0 | 4-(1H-1,2,4-Triazol-1-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA84662
ChemicalName
4-(1H-1,2,4-Triazol-1-yl)benzoic acid
CasNumber
162848-16-0
MolecularFormula
C9H7N3O2
MolecularWeight
189.1708
MdlNumber
MFCD02682060
Smiles
OC(=O)c1ccc(cc1)n1ncnc1
Complexity
214
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AA84662
ChemicalName: 4-(1H-1,2,4-Triazol-1-yl)benzoic acid
CasNumber: 162848-16-0
MolecularFormula: C9H7N3O2
MolecularWeight: 189.1708
MdlNumber: MFCD02682060
Smiles: OC(=O)c1ccc(cc1)n1ncnc1
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AA84662
ChemicalName:
4-(1H-1,2,4-Triazol-1-yl)benzoic acid
CasNumber:
162848-16-0
MolecularFormula:
C9H7N3O2
MolecularWeight:
189.1708
MdlNumber:
MFCD02682060
Smiles:
OC(=O)c1ccc(cc1)n1ncnc1
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.2
CatalogNumber: AA84664
ChemicalName: Thieno[3,2-d]pyrimidin-4-amine
CasNumber: 16285-74-8
MolecularFormula: C6H5N3S
MolecularWeight: 151.189
MdlNumber: MFCD09834952
Smiles: Nc1ncnc2c1scc2
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
AA84664
ChemicalName:
Thieno[3,2-d]pyrimidin-4-amine
CasNumber:
16285-74-8
MolecularFormula:
C6H5N3S
MolecularWeight:
151.189
MdlNumber:
MFCD09834952
Smiles:
Nc1ncnc2c1scc2
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC(Nc2c1cccc2)c1ccco1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(Nc2c1cccc2)c1ccco1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA84666
ChemicalName: N-Isovaleroylglycine
CasNumber: 16284-60-9
MolecularFormula: C7H13NO3
MolecularWeight: 159.183
MdlNumber: MFCD00059629
Smiles: CC(CC(=O)NCC(=O)O)C
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AA84666
ChemicalName:
N-Isovaleroylglycine
CasNumber:
16284-60-9
MolecularFormula:
C7H13NO3
MolecularWeight:
159.183
MdlNumber:
MFCD00059629
Smiles:
CC(CC(=O)NCC(=O)O)C
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.5