AD58007
225104-76-7 | 3-Chloro-2,6-difluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD58007
ChemicalName
3-Chloro-2,6-difluorobenzoic acid
CasNumber
225104-76-7
MolecularFormula
C7H3ClF2O2
MolecularWeight
192.5473
MdlNumber
MFCD01631322
Smiles
OC(=O)c1c(F)ccc(c1F)Cl
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AD58007
ChemicalName: 3-Chloro-2,6-difluorobenzoic acid
CasNumber: 225104-76-7
MolecularFormula: C7H3ClF2O2
MolecularWeight: 192.5473
MdlNumber: MFCD01631322
Smiles: OC(=O)c1c(F)ccc(c1F)Cl
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AD58007
ChemicalName:
3-Chloro-2,6-difluorobenzoic acid
CasNumber:
225104-76-7
MolecularFormula:
C7H3ClF2O2
MolecularWeight:
192.5473
MdlNumber:
MFCD01631322
Smiles:
OC(=O)c1c(F)ccc(c1F)Cl
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
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Smiles: OC(=O)CCS.OC(=O)CCS.OCCO
Complexity: __
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HeavyAtomCount: __
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RotatableBondCount: __
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Smiles:
OC(=O)CCS.OC(=O)CCS.OCCO
Complexity:
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Smiles: c1ccc2c(c1)cc1c(c2)c2cccnc2cc1
Complexity: __
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Smiles:
c1ccc2c(c1)cc1c(c2)c2cccnc2cc1
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HydrogenBondAcceptorCount:
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Smiles: [Cl-][Zn+2]([Cl-])([Cl-])[Cl-].CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1N(=O)=O)N(C)C)C.CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1N(=O)=O)N(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[Cl-][Zn+2]([Cl-])([Cl-])[Cl-].CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1N(=O)=O)N(C)C)C.CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1N(=O)=O)N(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__