AA49100
1365273-04-6 | Methyl 3-fluoro-5-(3-fluoropyridin-2-yl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA49100
ChemicalName
Methyl 3-fluoro-5-(3-fluoropyridin-2-yl)benzoate
CasNumber
1365273-04-6
MolecularFormula
C13H9F2NO2
MolecularWeight
249.2129
MdlNumber
MFCD21609726
Smiles
COC(=O)c1cc(F)cc(c1)c1ncccc1F
Complexity
301
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AA49100
ChemicalName: Methyl 3-fluoro-5-(3-fluoropyridin-2-yl)benzoate
CasNumber: 1365273-04-6
MolecularFormula: C13H9F2NO2
MolecularWeight: 249.2129
MdlNumber: MFCD21609726
Smiles: COC(=O)c1cc(F)cc(c1)c1ncccc1F
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AA49100
ChemicalName:
Methyl 3-fluoro-5-(3-fluoropyridin-2-yl)benzoate
CasNumber:
1365273-04-6
MolecularFormula:
C13H9F2NO2
MolecularWeight:
249.2129
MdlNumber:
MFCD21609726
Smiles:
COC(=O)c1cc(F)cc(c1)c1ncccc1F
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: AA49101
ChemicalName: 6-Bromo-4-propyl-2H-1,4-benzoxazin-3-one
CasNumber: 1365273-01-3
MolecularFormula: C11H12BrNO2
MolecularWeight: 270.1225
MdlNumber: MFCD21609655
Smiles: CCCN1C(=O)COc2c1cc(Br)cc2
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AA49101
ChemicalName:
6-Bromo-4-propyl-2H-1,4-benzoxazin-3-one
CasNumber:
1365273-01-3
MolecularFormula:
C11H12BrNO2
MolecularWeight:
270.1225
MdlNumber:
MFCD21609655
Smiles:
CCCN1C(=O)COc2c1cc(Br)cc2
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: AA49102
ChemicalName: 4-Bromo-N-cyclohexyl-2,3-difluoro-6-nitroaniline
CasNumber: 1365272-99-6
MolecularFormula: C12H13BrF2N2O2
MolecularWeight: 335.1446
MdlNumber: MFCD21609498
Smiles: [O-][N+](=O)c1cc(Br)c(c(c1NC1CCCCC1)F)F
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 5
CatalogNumber:
AA49102
ChemicalName:
4-Bromo-N-cyclohexyl-2,3-difluoro-6-nitroaniline
CasNumber:
1365272-99-6
MolecularFormula:
C12H13BrF2N2O2
MolecularWeight:
335.1446
MdlNumber:
MFCD21609498
Smiles:
[O-][N+](=O)c1cc(Br)c(c(c1NC1CCCCC1)F)F
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
5
CatalogNumber: AA49103
ChemicalName: Ethyl 4-bromocyclohex-3-ene-1-carboxylate
CasNumber: 1365272-96-3
MolecularFormula: C9H13BrO2
MolecularWeight: 233.10232000000008
MdlNumber: MFCD21609657
Smiles: CCOC(=O)C1CCC(=CC1)Br
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AA49103
ChemicalName:
Ethyl 4-bromocyclohex-3-ene-1-carboxylate
CasNumber:
1365272-96-3
MolecularFormula:
C9H13BrO2
MolecularWeight:
233.10232000000008
MdlNumber:
MFCD21609657
Smiles:
CCOC(=O)C1CCC(=CC1)Br
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.4