AD38602
1133115-70-4 | Methyl 4-chloro-7,8-dimethylquinoline-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD38602
ChemicalName
Methyl 4-chloro-7,8-dimethylquinoline-2-carboxylate
CasNumber
1133115-70-4
MolecularFormula
C13H12ClNO2
MolecularWeight
249.6929
MdlNumber
MFCD11855885
Smiles
COC(=O)c1cc(Cl)c2c(n1)c(C)c(cc2)C
Complexity
297
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
3.7
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CatalogNumber: AD38602
ChemicalName: Methyl 4-chloro-7,8-dimethylquinoline-2-carboxylate
CasNumber: 1133115-70-4
MolecularFormula: C13H12ClNO2
MolecularWeight: 249.6929
MdlNumber: MFCD11855885
Smiles: COC(=O)c1cc(Cl)c2c(n1)c(C)c(cc2)C
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.7
CatalogNumber:
AD38602
ChemicalName:
Methyl 4-chloro-7,8-dimethylquinoline-2-carboxylate
CasNumber:
1133115-70-4
MolecularFormula:
C13H12ClNO2
MolecularWeight:
249.6929
MdlNumber:
MFCD11855885
Smiles:
COC(=O)c1cc(Cl)c2c(n1)c(C)c(cc2)C
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.7
CatalogNumber: AD38603
ChemicalName: 5-Bromo-4-thiocyanato-2-(trifluoromethoxy)aniline
CasNumber: 1133115-30-6
MolecularFormula: C8H4BrF3N2OS
MolecularWeight: 313.0944
MdlNumber: MFCD11855818
Smiles: N#CSc1cc(OC(F)(F)F)c(cc1Br)N
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
RotatableBondCount: 2
Xlogp3: 3.7
CatalogNumber:
AD38603
ChemicalName:
5-Bromo-4-thiocyanato-2-(trifluoromethoxy)aniline
CasNumber:
1133115-30-6
MolecularFormula:
C8H4BrF3N2OS
MolecularWeight:
313.0944
MdlNumber:
MFCD11855818
Smiles:
N#CSc1cc(OC(F)(F)F)c(cc1Br)N
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
RotatableBondCount:
2
Xlogp3:
3.7
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Smiles: O=c1[nH]c(=O)[nH]nc1SC(F)(F)F
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O=c1[nH]c(=O)[nH]nc1SC(F)(F)F
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Smiles:
N#Cc1cnc(c(n1)C#N)N
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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