AB50781
674287-63-9 | 5-Bromo-1H-1,2,4-triazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50781
ChemicalName
5-Bromo-1H-1,2,4-triazole-3-carboxylic acid
CasNumber
674287-63-9
MolecularFormula
C3H2BrN3O2
MolecularWeight
191.9709
MdlNumber
MFCD11040182
Smiles
OC(=O)c1nnc([nH]1)Br
Complexity
130
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.9
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CatalogNumber: AB50781
ChemicalName: 5-Bromo-1H-1,2,4-triazole-3-carboxylic acid
CasNumber: 674287-63-9
MolecularFormula: C3H2BrN3O2
MolecularWeight: 191.9709
MdlNumber: MFCD11040182
Smiles: OC(=O)c1nnc([nH]1)Br
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AB50781
ChemicalName:
5-Bromo-1H-1,2,4-triazole-3-carboxylic acid
CasNumber:
674287-63-9
MolecularFormula:
C3H2BrN3O2
MolecularWeight:
191.9709
MdlNumber:
MFCD11040182
Smiles:
OC(=O)c1nnc([nH]1)Br
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: AB50782
ChemicalName: 5-Bromo-1,7-naphthyridin-8-ol
CasNumber: 67967-14-0
MolecularFormula: C8H5BrN2O
MolecularWeight: 225.0421
MdlNumber: MFCD09863860
Smiles: Brc1cnc(c2c1cccn2)O
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
AB50782
ChemicalName:
5-Bromo-1,7-naphthyridin-8-ol
CasNumber:
67967-14-0
MolecularFormula:
C8H5BrN2O
MolecularWeight:
225.0421
MdlNumber:
MFCD09863860
Smiles:
Brc1cnc(c2c1cccn2)O
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50784
ChemicalName: 5-Fluoro-2,3-dihydro-1h-isoindole, HCl
CasNumber: 685565-15-5
MolecularFormula: C8H9ClFN
MolecularWeight: 173.6152
MdlNumber: MFCD09832541
Smiles: Fc1ccc2c(c1)CNC2.Cl
Complexity: 126
Covalently-bondedUnitCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB50784
ChemicalName:
5-Fluoro-2,3-dihydro-1h-isoindole, HCl
CasNumber:
685565-15-5
MolecularFormula:
C8H9ClFN
MolecularWeight:
173.6152
MdlNumber:
MFCD09832541
Smiles:
Fc1ccc2c(c1)CNC2.Cl
Complexity:
126
Covalently-bondedUnitCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
__