AG64804
636-46-4 | 4-Hydroxyisophthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AG64804
ChemicalName
4-Hydroxyisophthalic acid
CasNumber
636-46-4
MolecularFormula
C8H6O5
MolecularWeight
182.1302
MdlNumber
MFCD00010391
Smiles
OC(=O)c1ccc(c(c1)C(=O)O)O
NscNumber
2445
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AG64804
ChemicalName: 4-Hydroxyisophthalic acid
CasNumber: 636-46-4
MolecularFormula: C8H6O5
MolecularWeight: 182.1302
MdlNumber: MFCD00010391
Smiles: OC(=O)c1ccc(c(c1)C(=O)O)O
NscNumber: 2445
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AG64804
ChemicalName:
4-Hydroxyisophthalic acid
CasNumber:
636-46-4
MolecularFormula:
C8H6O5
MolecularWeight:
182.1302
MdlNumber:
MFCD00010391
Smiles:
OC(=O)c1ccc(c(c1)C(=O)O)O
NscNumber:
2445
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AG64805
ChemicalName: 4-(4-Chlorophenyl)benzonitrile
CasNumber: 57774-36-4
MolecularFormula: C13H8ClN
MolecularWeight: 213.6623
MdlNumber: MFCD05980153
Smiles: N#Cc1ccc(cc1)c1ccc(cc1)Cl
NscNumber: __
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.7
CatalogNumber:
AG64805
ChemicalName:
4-(4-Chlorophenyl)benzonitrile
CasNumber:
57774-36-4
MolecularFormula:
C13H8ClN
MolecularWeight:
213.6623
MdlNumber:
MFCD05980153
Smiles:
N#Cc1ccc(cc1)c1ccc(cc1)Cl
NscNumber:
__
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(C(=O)O)CC(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(C(=O)O)CC(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)[C@@H](N)C.Cl
NscNumber: __
Complexity: 72.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)[C@@H](N)C.Cl
NscNumber:
__
Complexity:
72.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__