AC04123
87932-49-8 | 3-Chloro-4,5-dihydroxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC04123
ChemicalName
3-Chloro-4,5-dihydroxybenzoic acid
CasNumber
87932-49-8
MolecularFormula
C7H5ClO4
MolecularWeight
188.5652
MdlNumber
MFCD01742816
Smiles
OC(=O)c1cc(O)c(c(c1)Cl)O
NscNumber
21187
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AC04123
ChemicalName: 3-Chloro-4,5-dihydroxybenzoic acid
CasNumber: 87932-49-8
MolecularFormula: C7H5ClO4
MolecularWeight: 188.5652
MdlNumber: MFCD01742816
Smiles: OC(=O)c1cc(O)c(c(c1)Cl)O
NscNumber: 21187
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AC04123
ChemicalName:
3-Chloro-4,5-dihydroxybenzoic acid
CasNumber:
87932-49-8
MolecularFormula:
C7H5ClO4
MolecularWeight:
188.5652
MdlNumber:
MFCD01742816
Smiles:
OC(=O)c1cc(O)c(c(c1)Cl)O
NscNumber:
21187
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
1.7
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Smiles: OCCC(C=CC=C(/C=C/C1=C(C)CCCC1(C)C)C)C
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Complexity: __
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Smiles:
OCCC(C=CC=C(/C=C/C1=C(C)CCCC1(C)C)C)C
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Smiles: CC(=O)O.OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Smiles:
CC(=O)O.OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: ICCOCCOCc1ccccc1
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
ICCOCCOCc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__