AD61947
194804-91-6 | 4-Bromo-2,3-difluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD61947
ChemicalName
4-Bromo-2,3-difluorobenzoic acid
CasNumber
194804-91-6
MolecularFormula
C7H3BrF2O2
MolecularWeight
236.9983
MdlNumber
MFCD07368121
Smiles
OC(=O)c1ccc(c(c1F)F)Br
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AD61947
ChemicalName: 4-Bromo-2,3-difluorobenzoic acid
CasNumber: 194804-91-6
MolecularFormula: C7H3BrF2O2
MolecularWeight: 236.9983
MdlNumber: MFCD07368121
Smiles: OC(=O)c1ccc(c(c1F)F)Br
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AD61947
ChemicalName:
4-Bromo-2,3-difluorobenzoic acid
CasNumber:
194804-91-6
MolecularFormula:
C7H3BrF2O2
MolecularWeight:
236.9983
MdlNumber:
MFCD07368121
Smiles:
OC(=O)c1ccc(c(c1F)F)Br
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: AD61948
ChemicalName: 4-Amino-2,3-difluorobenzoic acid
CasNumber: 194804-85-8
MolecularFormula: C7H5F2NO2
MolecularWeight: 173.1169
MdlNumber: MFCD04114097
Smiles: OC(=O)c1ccc(c(c1F)F)N
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AD61948
ChemicalName:
4-Amino-2,3-difluorobenzoic acid
CasNumber:
194804-85-8
MolecularFormula:
C7H5F2NO2
MolecularWeight:
173.1169
MdlNumber:
MFCD04114097
Smiles:
OC(=O)c1ccc(c(c1F)F)N
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1
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Smiles: FC(Oc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)c1ccc2c(c1)CN[C@@H]2C)F
Complexity: __
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Smiles:
FC(Oc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)c1ccc2c(c1)CN[C@@H]2C)F
Complexity:
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Smiles: Clc1ccccc1C1=NCc2n(-c3c1cccc3)cnc2C(=O)N
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Smiles:
Clc1ccccc1C1=NCc2n(-c3c1cccc3)cnc2C(=O)N
Complexity:
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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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