AD21470
2436-17-1 | 2-(5-Methoxy-1H-indol-3-yl)acetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD21470
ChemicalName
2-(5-Methoxy-1H-indol-3-yl)acetonitrile
CasNumber
2436-17-1
MolecularFormula
C11H10N2O
MolecularWeight
186.2099
MdlNumber
MFCD02094163
Smiles
N#CCc1c[nH]c2c1cc(OC)cc2
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AD21470
ChemicalName: 2-(5-Methoxy-1H-indol-3-yl)acetonitrile
CasNumber: 2436-17-1
MolecularFormula: C11H10N2O
MolecularWeight: 186.2099
MdlNumber: MFCD02094163
Smiles: N#CCc1c[nH]c2c1cc(OC)cc2
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AD21470
ChemicalName:
2-(5-Methoxy-1H-indol-3-yl)acetonitrile
CasNumber:
2436-17-1
MolecularFormula:
C11H10N2O
MolecularWeight:
186.2099
MdlNumber:
MFCD02094163
Smiles:
N#CCc1c[nH]c2c1cc(OC)cc2
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1c([O-])c(Cl)c(c(c1Cl)Cl)Cl.CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1c([O-])c(Cl)c(c(c1Cl)Cl)Cl.CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)CN(c1ccccc1)CC1=NCCN1.OS(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
c1ccc(cc1)CN(c1ccccc1)CC1=NCCN1.OS(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(cc1)Br)N
Complexity: 97.4
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(cc1)Br)N
Complexity:
97.4
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9