AB12712
1912-33-0 | Methyl 3-indolylacetate
Manufacturer: A2B Chem
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CatalogNumber
AB12712
ChemicalName
Methyl 3-indolylacetate
CasNumber
1912-33-0
MolecularFormula
C11H11NO2
MolecularWeight
189.2105
MdlNumber
MFCD00022749
Smiles
COC(=O)Cc1c[nH]c2c1cccc2
NscNumber
63806
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AB12712
ChemicalName: Methyl 3-indolylacetate
CasNumber: 1912-33-0
MolecularFormula: C11H11NO2
MolecularWeight: 189.2105
MdlNumber: MFCD00022749
Smiles: COC(=O)Cc1c[nH]c2c1cccc2
NscNumber: 63806
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AB12712
ChemicalName:
Methyl 3-indolylacetate
CasNumber:
1912-33-0
MolecularFormula:
C11H11NO2
MolecularWeight:
189.2105
MdlNumber:
MFCD00022749
Smiles:
COC(=O)Cc1c[nH]c2c1cccc2
NscNumber:
63806
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: AB12713
ChemicalName: Butyl methanesulfonate
CasNumber: 1912-32-9
MolecularFormula: C5H12O3S
MolecularWeight: 152.212
MdlNumber: MFCD00041257
Smiles: CCCCOS(=O)(=O)C
NscNumber: 36060
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AB12713
ChemicalName:
Butyl methanesulfonate
CasNumber:
1912-32-9
MolecularFormula:
C5H12O3S
MolecularWeight:
152.212
MdlNumber:
MFCD00041257
Smiles:
CCCCOS(=O)(=O)C
NscNumber:
36060
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc(F)c(c2c1[nH]c(c2C)C)Br
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cc(F)c(c2c1[nH]c(c2C)C)Br
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)c1cc(F)c(c2c1[nH]c(c2C)C)Br
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1cc(F)c(c2c1[nH]c(c2C)C)Br
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__