AI40885
1820710-62-0 | 2-(Cyanomethyl)benzene-1,4-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI40885
ChemicalName
2-(Cyanomethyl)benzene-1,4-dicarboxylic acid
CasNumber
1820710-62-0
MolecularFormula
C10H7NO4
MolecularWeight
205.1669
MdlNumber
MFCD28122671
Smiles
N#CCc1cc(ccc1C(=O)O)C(=O)O
Complexity
317
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.6
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CatalogNumber: AI40885
ChemicalName: 2-(Cyanomethyl)benzene-1,4-dicarboxylic acid
CasNumber: 1820710-62-0
MolecularFormula: C10H7NO4
MolecularWeight: 205.1669
MdlNumber: MFCD28122671
Smiles: N#CCc1cc(ccc1C(=O)O)C(=O)O
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AI40885
ChemicalName:
2-(Cyanomethyl)benzene-1,4-dicarboxylic acid
CasNumber:
1820710-62-0
MolecularFormula:
C10H7NO4
MolecularWeight:
205.1669
MdlNumber:
MFCD28122671
Smiles:
N#CCc1cc(ccc1C(=O)O)C(=O)O
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: AI40886
ChemicalName: N,N-Bis[(2-Cyanophenyl)methyl]methanesulfonamide
CasNumber: 1820710-63-1
MolecularFormula: C17H15N3O2S
MolecularWeight: 325.3849
MdlNumber: MFCD28127191
Smiles: N#Cc1ccccc1CN(S(=O)(=O)C)Cc1ccccc1C#N
Complexity: 554
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 1.9
CatalogNumber:
AI40886
ChemicalName:
N,N-Bis[(2-Cyanophenyl)methyl]methanesulfonamide
CasNumber:
1820710-63-1
MolecularFormula:
C17H15N3O2S
MolecularWeight:
325.3849
MdlNumber:
MFCD28127191
Smiles:
N#Cc1ccccc1CN(S(=O)(=O)C)Cc1ccccc1C#N
Complexity:
554
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1F)c1ccccc1F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1F)c1ccccc1F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2nc(oc2cc1Cl)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2nc(oc2cc1Cl)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__