AB46546
107650-22-6 | 6-Bromo-4-indolecarboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB46546
ChemicalName
6-Bromo-4-indolecarboxylic acid methyl ester
CasNumber
107650-22-6
MolecularFormula
C10H8BrNO2
MolecularWeight
254.08
MdlNumber
MFCD07357290
Smiles
COC(=O)c1cc(Br)cc2c1cc[nH]2
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AB46546
ChemicalName: 6-Bromo-4-indolecarboxylic acid methyl ester
CasNumber: 107650-22-6
MolecularFormula: C10H8BrNO2
MolecularWeight: 254.08
MdlNumber: MFCD07357290
Smiles: COC(=O)c1cc(Br)cc2c1cc[nH]2
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AB46546
ChemicalName:
6-Bromo-4-indolecarboxylic acid methyl ester
CasNumber:
107650-22-6
MolecularFormula:
C10H8BrNO2
MolecularWeight:
254.08
MdlNumber:
MFCD07357290
Smiles:
COC(=O)c1cc(Br)cc2c1cc[nH]2
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: AB46547
ChemicalName: 6-Chloro-2-picolinic acid methyl ester
CasNumber: 6636-55-1
MolecularFormula: C7H6ClNO2
MolecularWeight: 171.581
MdlNumber: MFCD00155391
Smiles: COC(=O)c1cccc(n1)Cl
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AB46547
ChemicalName:
6-Chloro-2-picolinic acid methyl ester
CasNumber:
6636-55-1
MolecularFormula:
C7H6ClNO2
MolecularWeight:
171.581
MdlNumber:
MFCD00155391
Smiles:
COC(=O)c1cccc(n1)Cl
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: AB46548
ChemicalName: Methyl 6-chloro-5-hydroxynicotinate
CasNumber: 915107-30-1
MolecularFormula: C7H6ClNO3
MolecularWeight: 187.5804
MdlNumber: MFCD11975629
Smiles: COC(=O)c1cnc(c(c1)O)Cl
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB46548
ChemicalName:
Methyl 6-chloro-5-hydroxynicotinate
CasNumber:
915107-30-1
MolecularFormula:
C7H6ClNO3
MolecularWeight:
187.5804
MdlNumber:
MFCD11975629
Smiles:
COC(=O)c1cnc(c(c1)O)Cl
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: AB46549
ChemicalName: Methyl 6-chloropyridazine-4-carboxylate
CasNumber: 1093860-48-0
MolecularFormula: C6H5ClN2O2
MolecularWeight: 172.5691
MdlNumber: MFCD16660968
Smiles: COC(=O)c1cnnc(c1)Cl
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AB46549
ChemicalName:
Methyl 6-chloropyridazine-4-carboxylate
CasNumber:
1093860-48-0
MolecularFormula:
C6H5ClN2O2
MolecularWeight:
172.5691
MdlNumber:
MFCD16660968
Smiles:
COC(=O)c1cnnc(c1)Cl
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.7