AB72941
5985-24-0 | Dimethyl 4-hydroxyisophthalate
Manufacturer: A2B Chem
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CatalogNumber
AB72941
ChemicalName
Dimethyl 4-hydroxyisophthalate
CasNumber
5985-24-0
MolecularFormula
C10H10O5
MolecularWeight
210.1834
MdlNumber
MFCD00152444
Smiles
COC(=O)c1ccc(c(c1)C(=O)OC)O
NscNumber
109108
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AB72941
ChemicalName: Dimethyl 4-hydroxyisophthalate
CasNumber: 5985-24-0
MolecularFormula: C10H10O5
MolecularWeight: 210.1834
MdlNumber: MFCD00152444
Smiles: COC(=O)c1ccc(c(c1)C(=O)OC)O
NscNumber: 109108
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AB72941
ChemicalName:
Dimethyl 4-hydroxyisophthalate
CasNumber:
5985-24-0
MolecularFormula:
C10H10O5
MolecularWeight:
210.1834
MdlNumber:
MFCD00152444
Smiles:
COC(=O)c1ccc(c(c1)C(=O)OC)O
NscNumber:
109108
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: AB72942
ChemicalName: Dimethyl 4-nitroisophthalate
CasNumber: 69048-70-0
MolecularFormula: C10H9NO6
MolecularWeight: 239.1816
MdlNumber: MFCD00177948
Smiles: COC(=O)c1ccc(c(c1)C(=O)OC)[N+](=O)[O-]
NscNumber: __
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AB72942
ChemicalName:
Dimethyl 4-nitroisophthalate
CasNumber:
69048-70-0
MolecularFormula:
C10H9NO6
MolecularWeight:
239.1816
MdlNumber:
MFCD00177948
Smiles:
COC(=O)c1ccc(c(c1)C(=O)OC)[N+](=O)[O-]
NscNumber:
__
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.5
CatalogNumber: AB72943
ChemicalName: 1,2-Dimethyl 4-nitrophthalate
CasNumber: 610-22-0
MolecularFormula: C10H9NO6
MolecularWeight: 239.1816
MdlNumber: MFCD00017191
Smiles: COC(=O)c1cc(ccc1C(=O)OC)[N+](=O)[O-]
NscNumber: 9410
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AB72943
ChemicalName:
1,2-Dimethyl 4-nitrophthalate
CasNumber:
610-22-0
MolecularFormula:
C10H9NO6
MolecularWeight:
239.1816
MdlNumber:
MFCD00017191
Smiles:
COC(=O)c1cc(ccc1C(=O)OC)[N+](=O)[O-]
NscNumber:
9410
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.4
CatalogNumber: AB72944
ChemicalName: Dimethyl 5-bromoisophthalate
CasNumber: 51760-21-5
MolecularFormula: C10H9BrO4
MolecularWeight: 273.0801
MdlNumber: MFCD00078709
Smiles: COC(=O)c1cc(Br)cc(c1)C(=O)OC
NscNumber: __
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AB72944
ChemicalName:
Dimethyl 5-bromoisophthalate
CasNumber:
51760-21-5
MolecularFormula:
C10H9BrO4
MolecularWeight:
273.0801
MdlNumber:
MFCD00078709
Smiles:
COC(=O)c1cc(Br)cc(c1)C(=O)OC
NscNumber:
__
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.3