AB39516
3034-94-4 | 3-Nitrophenylacetylene
Manufacturer: A2B Chem
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CatalogNumber
AB39516
ChemicalName
3-Nitrophenylacetylene
CasNumber
3034-94-4
MolecularFormula
C8H5NO2
MolecularWeight
147.1308
MdlNumber
MFCD02181150
Smiles
C#Cc1cccc(c1)[N+](=O)[O-]
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AB39516
ChemicalName: 3-Nitrophenylacetylene
CasNumber: 3034-94-4
MolecularFormula: C8H5NO2
MolecularWeight: 147.1308
MdlNumber: MFCD02181150
Smiles: C#Cc1cccc(c1)[N+](=O)[O-]
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AB39516
ChemicalName:
3-Nitrophenylacetylene
CasNumber:
3034-94-4
MolecularFormula:
C8H5NO2
MolecularWeight:
147.1308
MdlNumber:
MFCD02181150
Smiles:
C#Cc1cccc(c1)[N+](=O)[O-]
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: AB39517
ChemicalName: Methyl 4-ethynylbenzoate
CasNumber: 3034-86-4
MolecularFormula: C10H8O2
MolecularWeight: 160.1693
MdlNumber: MFCD00168820
Smiles: COC(=O)c1ccc(cc1)C#C
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AB39517
ChemicalName:
Methyl 4-ethynylbenzoate
CasNumber:
3034-86-4
MolecularFormula:
C10H8O2
MolecularWeight:
160.1693
MdlNumber:
MFCD00168820
Smiles:
COC(=O)c1ccc(cc1)C#C
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CN=C(c2c(N1C)cccc2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CN=C(c2c(N1C)cccc2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB39520
ChemicalName: 2-Iodoimidazole
CasNumber: 3034-62-6
MolecularFormula: C3H3IN2
MolecularWeight: 193.9738
MdlNumber: MFCD00159701
Smiles: Ic1ncc[nH]1
Complexity: 48.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
AB39520
ChemicalName:
2-Iodoimidazole
CasNumber:
3034-62-6
MolecularFormula:
C3H3IN2
MolecularWeight:
193.9738
MdlNumber:
MFCD00159701
Smiles:
Ic1ncc[nH]1
Complexity:
48.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
0.5