AB39517
3034-86-4 | Methyl 4-ethynylbenzoate
Manufacturer: A2B Chem
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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
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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
CatalogNumber: AB39521
ChemicalName: 2-Amino-5-bromo-4-methylthiazole
CasNumber: 3034-57-9
MolecularFormula: C4H5BrN2S
MolecularWeight: 193.0649
MdlNumber: MFCD09260911
Smiles: Nc1nc(c(s1)Br)C
Complexity: 90.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
AB39521
ChemicalName:
2-Amino-5-bromo-4-methylthiazole
CasNumber:
3034-57-9
MolecularFormula:
C4H5BrN2S
MolecularWeight:
193.0649
MdlNumber:
MFCD09260911
Smiles:
Nc1nc(c(s1)Br)C
Complexity:
90.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
2