AG66600
57662-47-2 | 3-(3-Methyl-1h-indol-1-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG66600
ChemicalName
3-(3-Methyl-1h-indol-1-yl)propanoic acid
CasNumber
57662-47-2
MolecularFormula
C12H13NO2
MolecularWeight
203.2371
MdlNumber
MFCD00052088
Smiles
OC(=O)CCn1cc(c2c1cccc2)C
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AG66600
ChemicalName: 3-(3-Methyl-1h-indol-1-yl)propanoic acid
CasNumber: 57662-47-2
MolecularFormula: C12H13NO2
MolecularWeight: 203.2371
MdlNumber: MFCD00052088
Smiles: OC(=O)CCn1cc(c2c1cccc2)C
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AG66600
ChemicalName:
3-(3-Methyl-1h-indol-1-yl)propanoic acid
CasNumber:
57662-47-2
MolecularFormula:
C12H13NO2
MolecularWeight:
203.2371
MdlNumber:
MFCD00052088
Smiles:
OC(=O)CCn1cc(c2c1cccc2)C
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: AG66601
ChemicalName: 2-Iodo-6-methylpyridine
CasNumber: 62674-71-9
MolecularFormula: C6H6IN
MolecularWeight: 219.023
MdlNumber: MFCD11044364
Smiles: Cc1cccc(n1)I
Complexity: 74.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
AG66601
ChemicalName:
2-Iodo-6-methylpyridine
CasNumber:
62674-71-9
MolecularFormula:
C6H6IN
MolecularWeight:
219.023
MdlNumber:
MFCD11044364
Smiles:
Cc1cccc(n1)I
Complexity:
74.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(Br)ccc1N
Complexity: 110
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(Br)ccc1N
Complexity:
110
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: AG66603
ChemicalName: Methyl 2,4-dichloropyrimidine-6-carboxylate
CasNumber: 6299-85-0
MolecularFormula: C6H4Cl2N2O2
MolecularWeight: 207.01416
MdlNumber: MFCD01941317
Smiles: COC(=O)c1cc(Cl)nc(n1)Cl
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AG66603
ChemicalName:
Methyl 2,4-dichloropyrimidine-6-carboxylate
CasNumber:
6299-85-0
MolecularFormula:
C6H4Cl2N2O2
MolecularWeight:
207.01416
MdlNumber:
MFCD01941317
Smiles:
COC(=O)c1cc(Cl)nc(n1)Cl
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.3