AB51441
10312-55-7 | 2-Aminoterephthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AB51441
ChemicalName
2-Aminoterephthalic acid
CasNumber
10312-55-7
MolecularFormula
C8H7NO4
MolecularWeight
181.1455
MdlNumber
MFCD00134536
Smiles
OC(=O)c1ccc(c(c1)N)C(=O)O
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AB51441
ChemicalName: 2-Aminoterephthalic acid
CasNumber: 10312-55-7
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00134536
Smiles: OC(=O)c1ccc(c(c1)N)C(=O)O
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB51441
ChemicalName:
2-Aminoterephthalic acid
CasNumber:
10312-55-7
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00134536
Smiles:
OC(=O)c1ccc(c(c1)N)C(=O)O
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Complexity: 235
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Complexity:
235
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1C(=O)C)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1C(=O)C)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H](NC1CCCCC1)C.Cl
Complexity: 164
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H](NC1CCCCC1)C.Cl
Complexity:
164
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__