AD57838
25026-64-6 | 3-Chloro-5-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD57838
ChemicalName
3-Chloro-5-fluorobenzoic acid
CasNumber
25026-64-6
MolecularFormula
C7H4ClFO2
MolecularWeight
174.5569
MdlNumber
MFCD00973904
Smiles
Fc1cc(Cl)cc(c1)C(=O)O
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AD57838
ChemicalName: 3-Chloro-5-fluorobenzoic acid
CasNumber: 25026-64-6
MolecularFormula: C7H4ClFO2
MolecularWeight: 174.5569
MdlNumber: MFCD00973904
Smiles: Fc1cc(Cl)cc(c1)C(=O)O
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AD57838
ChemicalName:
3-Chloro-5-fluorobenzoic acid
CasNumber:
25026-64-6
MolecularFormula:
C7H4ClFO2
MolecularWeight:
174.5569
MdlNumber:
MFCD00973904
Smiles:
Fc1cc(Cl)cc(c1)C(=O)O
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
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MolecularFormula: __
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Smiles: O=C([C@H](Cc1c[nH]c2c1cccc2)N)N[C@H](C(=O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C([C@H](Cc1c[nH]c2c1cccc2)N)N[C@H](C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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RotatableBondCount:
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Smiles: NNC(=O)CSc1nc2c(s1)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
NNC(=O)CSc1nc2c(s1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C1NC(=O)C(=Cc2cccc(c2)[N+](=O)[O-])S1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(=O)C(=Cc2cccc(c2)[N+](=O)[O-])S1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__