AB54152
2144-08-3 | 2,3,4-Trihydroxybenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB54152
ChemicalName
2,3,4-Trihydroxybenzaldehyde
CasNumber
2144-08-3
MolecularFormula
C7H6O4
MolecularWeight
154.12014
MdlNumber
MFCD00003325
Smiles
O=Cc1ccc(c(c1O)O)O
NscNumber
22595
Complexity
147
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
0.9
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CatalogNumber: AB54152
ChemicalName: 2,3,4-Trihydroxybenzaldehyde
CasNumber: 2144-08-3
MolecularFormula: C7H6O4
MolecularWeight: 154.12014
MdlNumber: MFCD00003325
Smiles: O=Cc1ccc(c(c1O)O)O
NscNumber: 22595
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AB54152
ChemicalName:
2,3,4-Trihydroxybenzaldehyde
CasNumber:
2144-08-3
MolecularFormula:
C7H6O4
MolecularWeight:
154.12014
MdlNumber:
MFCD00003325
Smiles:
O=Cc1ccc(c(c1O)O)O
NscNumber:
22595
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1c(F)c(F)c(c(c1F)F)CO
NscNumber: __
Complexity: 156
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1c(F)c(F)c(c(c1F)F)CO
NscNumber:
__
Complexity:
156
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(F)c(c(c1F)O)F
NscNumber: __
Complexity: 129
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(F)c(c(c1F)O)F
NscNumber:
__
Complexity:
129
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: AB54155
ChemicalName: 2,3,5-Trifluorobenzoic acid
CasNumber: 654-87-5
MolecularFormula: C7H3F3O2
MolecularWeight: 176.0927
MdlNumber: MFCD00061200
Smiles: Fc1cc(F)c(c(c1)C(=O)O)F
NscNumber: __
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB54155
ChemicalName:
2,3,5-Trifluorobenzoic acid
CasNumber:
654-87-5
MolecularFormula:
C7H3F3O2
MolecularWeight:
176.0927
MdlNumber:
MFCD00061200
Smiles:
Fc1cc(F)c(c(c1)C(=O)O)F
NscNumber:
__
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7