AA49075
1365272-85-0 | 4-Bromo-N-isopropyl-2-nitro-5-propoxyaniline
Manufacturer: A2B Chem
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CatalogNumber
AA49075
ChemicalName
4-Bromo-N-isopropyl-2-nitro-5-propoxyaniline
CasNumber
1365272-85-0
MolecularFormula
C12H17BrN2O3
MolecularWeight
317.179
MdlNumber
MFCD16652556
Smiles
CCCOc1cc(NC(C)C)c(cc1Br)[N+](=O)[O-]
Complexity
271
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
4.6
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CatalogNumber: AA49075
ChemicalName: 4-Bromo-N-isopropyl-2-nitro-5-propoxyaniline
CasNumber: 1365272-85-0
MolecularFormula: C12H17BrN2O3
MolecularWeight: 317.179
MdlNumber: MFCD16652556
Smiles: CCCOc1cc(NC(C)C)c(cc1Br)[N+](=O)[O-]
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 4.6
CatalogNumber:
AA49075
ChemicalName:
4-Bromo-N-isopropyl-2-nitro-5-propoxyaniline
CasNumber:
1365272-85-0
MolecularFormula:
C12H17BrN2O3
MolecularWeight:
317.179
MdlNumber:
MFCD16652556
Smiles:
CCCOc1cc(NC(C)C)c(cc1Br)[N+](=O)[O-]
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
4.6
CatalogNumber: AA49076
ChemicalName: Methyl 5-(4-cyanophenyl)-2-fluorobenzoate
CasNumber: 1365272-84-9
MolecularFormula: C15H10FNO2
MolecularWeight: 255.2438
MdlNumber: MFCD21609644
Smiles: N#Cc1ccc(cc1)c1ccc(c(c1)C(=O)OC)F
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA49076
ChemicalName:
Methyl 5-(4-cyanophenyl)-2-fluorobenzoate
CasNumber:
1365272-84-9
MolecularFormula:
C15H10FNO2
MolecularWeight:
255.2438
MdlNumber:
MFCD21609644
Smiles:
N#Cc1ccc(cc1)c1ccc(c(c1)C(=O)OC)F
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: AA49077
ChemicalName: Methyl 3-(3-cyanophenyl)-5-fluorobenzoate
CasNumber: 1365272-83-8
MolecularFormula: C15H10FNO2
MolecularWeight: 255.2438
MdlNumber: MFCD21609624
Smiles: N#Cc1cccc(c1)c1cc(F)cc(c1)C(=O)OC
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA49077
ChemicalName:
Methyl 3-(3-cyanophenyl)-5-fluorobenzoate
CasNumber:
1365272-83-8
MolecularFormula:
C15H10FNO2
MolecularWeight:
255.2438
MdlNumber:
MFCD21609624
Smiles:
N#Cc1cccc(c1)c1cc(F)cc(c1)C(=O)OC
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: AA49078
ChemicalName: 2-Fluoro-4-(3-fluoro-5-methoxyphenyl)benzoic acid
CasNumber: 1365272-82-7
MolecularFormula: C14H10F2O3
MolecularWeight: 264.2242
MdlNumber: MFCD21609598
Smiles: COc1cc(F)cc(c1)c1ccc(c(c1)F)C(=O)O
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA49078
ChemicalName:
2-Fluoro-4-(3-fluoro-5-methoxyphenyl)benzoic acid
CasNumber:
1365272-82-7
MolecularFormula:
C14H10F2O3
MolecularWeight:
264.2242
MdlNumber:
MFCD21609598
Smiles:
COc1cc(F)cc(c1)c1ccc(c(c1)F)C(=O)O
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.2