AF30673
210159-13-0 | 1-(2-Methoxyphenyl)-5-methyl-1h-1,2,3-triazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF30673
ChemicalName
1-(2-Methoxyphenyl)-5-methyl-1h-1,2,3-triazole-4-carboxylic acid
CasNumber
210159-13-0
MolecularFormula
C11H11N3O3
MolecularWeight
233.2233
MdlNumber
MFCD07397771
Smiles
COc1ccccc1n1nnc(c1C)C(=O)O
Complexity
287
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AF30673
ChemicalName: 1-(2-Methoxyphenyl)-5-methyl-1h-1,2,3-triazole-4-carboxylic acid
CasNumber: 210159-13-0
MolecularFormula: C11H11N3O3
MolecularWeight: 233.2233
MdlNumber: MFCD07397771
Smiles: COc1ccccc1n1nnc(c1C)C(=O)O
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AF30673
ChemicalName:
1-(2-Methoxyphenyl)-5-methyl-1h-1,2,3-triazole-4-carboxylic acid
CasNumber:
210159-13-0
MolecularFormula:
C11H11N3O3
MolecularWeight:
233.2233
MdlNumber:
MFCD07397771
Smiles:
COc1ccccc1n1nnc(c1C)C(=O)O
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCCC1c1ccc(nc1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCCC1c1ccc(nc1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF30675
ChemicalName: 2-Bromo-3-iodo-5-nitropyridine
CasNumber: 25391-61-1
MolecularFormula: C5H2BrIN2O2
MolecularWeight: 328.89
MdlNumber: MFCD09038021
Smiles: [O-][N+](=O)c1cnc(c(c1)I)Br
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
AF30675
ChemicalName:
2-Bromo-3-iodo-5-nitropyridine
CasNumber:
25391-61-1
MolecularFormula:
C5H2BrIN2O2
MolecularWeight:
328.89
MdlNumber:
MFCD09038021
Smiles:
[O-][N+](=O)c1cnc(c(c1)I)Br
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ncc(cc1I)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ncc(cc1I)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__