AD19605
51624-44-3 | 3-(Phenylethynyl)aniline
Manufacturer: A2B Chem
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CatalogNumber
AD19605
ChemicalName
3-(Phenylethynyl)aniline
CasNumber
51624-44-3
MolecularFormula
C14H11N
MolecularWeight
193.24384
MdlNumber
MFCD08701708
Smiles
Nc1cccc(c1)C#Cc1ccccc1
Complexity
251
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AD19605
ChemicalName: 3-(Phenylethynyl)aniline
CasNumber: 51624-44-3
MolecularFormula: C14H11N
MolecularWeight: 193.24384
MdlNumber: MFCD08701708
Smiles: Nc1cccc(c1)C#Cc1ccccc1
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AD19605
ChemicalName:
3-(Phenylethynyl)aniline
CasNumber:
51624-44-3
MolecularFormula:
C14H11N
MolecularWeight:
193.24384
MdlNumber:
MFCD08701708
Smiles:
Nc1cccc(c1)C#Cc1ccccc1
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)S(=O)(=O)Sc1nnnn1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)S(=O)(=O)Sc1nnnn1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)sc(=S)[nH]2
Complexity: 185
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)sc(=S)[nH]2
Complexity:
185
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC/C=C/CC1CCCC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC/C=C/CC1CCCC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__