AA13492
1141-38-4 | 2,6-Naphthalenedicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA13492
ChemicalName
2,6-Naphthalenedicarboxylic acid
CasNumber
1141-38-4
MolecularFormula
C12H8O4
MolecularWeight
216.18952
MdlNumber
MFCD00004105
Smiles
OC(=O)c1ccc2c(c1)ccc(c2)C(=O)O
NscNumber
96410
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AA13492
ChemicalName: 2,6-Naphthalenedicarboxylic acid
CasNumber: 1141-38-4
MolecularFormula: C12H8O4
MolecularWeight: 216.18952
MdlNumber: MFCD00004105
Smiles: OC(=O)c1ccc2c(c1)ccc(c2)C(=O)O
NscNumber: 96410
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AA13492
ChemicalName:
2,6-Naphthalenedicarboxylic acid
CasNumber:
1141-38-4
MolecularFormula:
C12H8O4
MolecularWeight:
216.18952
MdlNumber:
MFCD00004105
Smiles:
OC(=O)c1ccc2c(c1)ccc(c2)C(=O)O
NscNumber:
96410
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: AA13493
ChemicalName: 2-(4-Chlorophenyl)benzo[d]oxazole
CasNumber: 1141-35-1
MolecularFormula: C13H8ClNO
MolecularWeight: 229.6617
MdlNumber: MFCD00453917
Smiles: Clc1ccc(cc1)c1nc2c(o1)cccc2
NscNumber: __
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.1
CatalogNumber:
AA13493
ChemicalName:
2-(4-Chlorophenyl)benzo[d]oxazole
CasNumber:
1141-35-1
MolecularFormula:
C13H8ClNO
MolecularWeight:
229.6617
MdlNumber:
MFCD00453917
Smiles:
Clc1ccc(cc1)c1nc2c(o1)cccc2
NscNumber:
__
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC(c1ccc(cc1)Br)CC(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC(c1ccc(cc1)Br)CC(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__