AB75874
688357-19-9 | Methyl 4-chloro-5-azaindole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB75874
ChemicalName
Methyl 4-chloro-5-azaindole-2-carboxylate
CasNumber
688357-19-9
MolecularFormula
C9H7ClN2O2
MolecularWeight
210.6171
MdlNumber
MFCD09870065
Smiles
COC(=O)c1cc2c([nH]1)ccnc2Cl
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AB75874
ChemicalName: Methyl 4-chloro-5-azaindole-2-carboxylate
CasNumber: 688357-19-9
MolecularFormula: C9H7ClN2O2
MolecularWeight: 210.6171
MdlNumber: MFCD09870065
Smiles: COC(=O)c1cc2c([nH]1)ccnc2Cl
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB75874
ChemicalName:
Methyl 4-chloro-5-azaindole-2-carboxylate
CasNumber:
688357-19-9
MolecularFormula:
C9H7ClN2O2
MolecularWeight:
210.6171
MdlNumber:
MFCD09870065
Smiles:
COC(=O)c1cc2c([nH]1)ccnc2Cl
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: AB75875
ChemicalName: Methyl 4-chloro-7-methoxyquinoline-2-carboxylate
CasNumber: 1133115-50-0
MolecularFormula: C12H10ClNO3
MolecularWeight: 251.6657
MdlNumber: MFCD11855871
Smiles: COc1ccc2c(c1)nc(cc2Cl)C(=O)OC
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AB75875
ChemicalName:
Methyl 4-chloro-7-methoxyquinoline-2-carboxylate
CasNumber:
1133115-50-0
MolecularFormula:
C12H10ClNO3
MolecularWeight:
251.6657
MdlNumber:
MFCD11855871
Smiles:
COc1ccc2c(c1)nc(cc2Cl)C(=O)OC
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: AB75876
ChemicalName: Methyl 4-chloro-8-(trifluoromethyl)quinoline-2-carboxylate
CasNumber: 1133115-62-4
MolecularFormula: C12H7ClF3NO2
MolecularWeight: 289.6377
MdlNumber: MFCD11855877
Smiles: COC(=O)c1cc(Cl)c2c(n1)c(ccc2)C(F)(F)F
Complexity: 350
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AB75876
ChemicalName:
Methyl 4-chloro-8-(trifluoromethyl)quinoline-2-carboxylate
CasNumber:
1133115-62-4
MolecularFormula:
C12H7ClF3NO2
MolecularWeight:
289.6377
MdlNumber:
MFCD11855877
Smiles:
COC(=O)c1cc(Cl)c2c(n1)c(ccc2)C(F)(F)F
Complexity:
350
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)C(=O)Cl
Complexity: 207
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)C(=O)Cl
Complexity:
207
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9