AA36396
1261956-79-9 | 2-Chloro-4-(3,4-difluorophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36396
ChemicalName
2-Chloro-4-(3,4-difluorophenyl)benzoic acid
CasNumber
1261956-79-9
MolecularFormula
C13H7ClF2O2
MolecularWeight
268.6433
MdlNumber
MFCD18319972
Smiles
OC(=O)c1ccc(cc1Cl)c1ccc(c(c1)F)F
Complexity
313
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.9
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CatalogNumber: AA36396
ChemicalName: 2-Chloro-4-(3,4-difluorophenyl)benzoic acid
CasNumber: 1261956-79-9
MolecularFormula: C13H7ClF2O2
MolecularWeight: 268.6433
MdlNumber: MFCD18319972
Smiles: OC(=O)c1ccc(cc1Cl)c1ccc(c(c1)F)F
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AA36396
ChemicalName:
2-Chloro-4-(3,4-difluorophenyl)benzoic acid
CasNumber:
1261956-79-9
MolecularFormula:
C13H7ClF2O2
MolecularWeight:
268.6433
MdlNumber:
MFCD18319972
Smiles:
OC(=O)c1ccc(cc1Cl)c1ccc(c(c1)F)F
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.9
CatalogNumber: AA36397
ChemicalName: N-Propyl 4-bromo-2-ethoxybenzamide
CasNumber: 1261956-44-8
MolecularFormula: C12H16BrNO2
MolecularWeight: 286.1649
MdlNumber: MFCD18311847
Smiles: CCCNC(=O)c1ccc(cc1OCC)Br
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3
CatalogNumber:
AA36397
ChemicalName:
N-Propyl 4-bromo-2-ethoxybenzamide
CasNumber:
1261956-44-8
MolecularFormula:
C12H16BrNO2
MolecularWeight:
286.1649
MdlNumber:
MFCD18311847
Smiles:
CCCNC(=O)c1ccc(cc1OCC)Br
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3
CatalogNumber: AA36398
ChemicalName: 5-(4-Carboxy-3-fluorophenyl)-2-fluorobenzoic acid
CasNumber: 1261956-34-6
MolecularFormula: C14H8F2O4
MolecularWeight: 278.2077
MdlNumber: MFCD18321502
Smiles: OC(=O)c1ccc(cc1F)c1ccc(c(c1)C(=O)O)F
Complexity: 387
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AA36398
ChemicalName:
5-(4-Carboxy-3-fluorophenyl)-2-fluorobenzoic acid
CasNumber:
1261956-34-6
MolecularFormula:
C14H8F2O4
MolecularWeight:
278.2077
MdlNumber:
MFCD18321502
Smiles:
OC(=O)c1ccc(cc1F)c1ccc(c(c1)C(=O)O)F
Complexity:
387
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.8
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Smiles: CCOC(=O)C1(CC1)c1ccc(cc1)F
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HydrogenBondAcceptorCount: __
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Smiles:
CCOC(=O)C1(CC1)c1ccc(cc1)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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