AA38567
130025-33-1 | 5-Chloro-2,4-difluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA38567
ChemicalName
5-Chloro-2,4-difluorobenzoic acid
CasNumber
130025-33-1
MolecularFormula
C7H3ClF2O2
MolecularWeight
192.5473
MdlNumber
MFCD06658163
Smiles
OC(=O)c1cc(Cl)c(cc1F)F
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AA38567
ChemicalName: 5-Chloro-2,4-difluorobenzoic acid
CasNumber: 130025-33-1
MolecularFormula: C7H3ClF2O2
MolecularWeight: 192.5473
MdlNumber: MFCD06658163
Smiles: OC(=O)c1cc(Cl)c(cc1F)F
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AA38567
ChemicalName:
5-Chloro-2,4-difluorobenzoic acid
CasNumber:
130025-33-1
MolecularFormula:
C7H3ClF2O2
MolecularWeight:
192.5473
MdlNumber:
MFCD06658163
Smiles:
OC(=O)c1cc(Cl)c(cc1F)F
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCC(=O)NCCN(C(C)C)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCC(=O)NCCN(C(C)C)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC(=O)N[C@H]([C@H]([C@H]([C@@H](CO)O)O)O)C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC(=O)N[C@H]([C@H]([C@H]([C@@H](CO)O)O)O)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)COCCN1CCN(CC1)[C@@H](c1ccc(cc1)Cl)c1ccccc1.Cl.Cl
Complexity: 443
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)COCCN1CCN(CC1)[C@@H](c1ccc(cc1)Cl)c1ccccc1.Cl.Cl
Complexity:
443
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__