AA49001
1365271-84-6 | 4-Bromo-N-cyclohexyl-2-nitro-5-propoxyaniline
Manufacturer: A2B Chem
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CatalogNumber
AA49001
ChemicalName
4-Bromo-N-cyclohexyl-2-nitro-5-propoxyaniline
CasNumber
1365271-84-6
MolecularFormula
C15H21BrN2O3
MolecularWeight
357.2428
MdlNumber
MFCD21609505
Smiles
CCCOc1cc(NC2CCCCC2)c(cc1Br)[N+](=O)[O-]
Complexity
331
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
5.7
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CatalogNumber: AA49001
ChemicalName: 4-Bromo-N-cyclohexyl-2-nitro-5-propoxyaniline
CasNumber: 1365271-84-6
MolecularFormula: C15H21BrN2O3
MolecularWeight: 357.2428
MdlNumber: MFCD21609505
Smiles: CCCOc1cc(NC2CCCCC2)c(cc1Br)[N+](=O)[O-]
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 5.7
CatalogNumber:
AA49001
ChemicalName:
4-Bromo-N-cyclohexyl-2-nitro-5-propoxyaniline
CasNumber:
1365271-84-6
MolecularFormula:
C15H21BrN2O3
MolecularWeight:
357.2428
MdlNumber:
MFCD21609505
Smiles:
CCCOc1cc(NC2CCCCC2)c(cc1Br)[N+](=O)[O-]
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
5.7
CatalogNumber: AA49002
ChemicalName: 3-Fluoro-5-(3-fluoropyridin-2-yl)benzoic acid
CasNumber: 1365271-83-5
MolecularFormula: C12H7F2NO2
MolecularWeight: 235.1863
MdlNumber: MFCD21609725
Smiles: Fc1cc(cc(c1)c1ncccc1F)C(=O)O
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AA49002
ChemicalName:
3-Fluoro-5-(3-fluoropyridin-2-yl)benzoic acid
CasNumber:
1365271-83-5
MolecularFormula:
C12H7F2NO2
MolecularWeight:
235.1863
MdlNumber:
MFCD21609725
Smiles:
Fc1cc(cc(c1)c1ncccc1F)C(=O)O
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc(c1CNc1ccccc1)Br
Complexity: 206
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc(c1CNc1ccccc1)Br
Complexity:
206
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2
CatalogNumber: AA49004
ChemicalName: 1,3-Dimethyl 2-(5-bromo-3-cyanopyridin-2-yl)propanedioate
CasNumber: 1365271-81-3
MolecularFormula: C11H9BrN2O4
MolecularWeight: 313.1042
MdlNumber: MFCD21609704
Smiles: COC(=O)C(c1ncc(cc1C#N)Br)C(=O)OC
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 1.2
CatalogNumber:
AA49004
ChemicalName:
1,3-Dimethyl 2-(5-bromo-3-cyanopyridin-2-yl)propanedioate
CasNumber:
1365271-81-3
MolecularFormula:
C11H9BrN2O4
MolecularWeight:
313.1042
MdlNumber:
MFCD21609704
Smiles:
COC(=O)C(c1ncc(cc1C#N)Br)C(=O)OC
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
1.2