AB17471
20699-85-8 | Methyl 5-amino-1-benzothiophene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB17471
ChemicalName
Methyl 5-amino-1-benzothiophene-2-carboxylate
CasNumber
20699-85-8
MolecularFormula
C10H9NO2S
MolecularWeight
207.249
MdlNumber
MFCD04123924
Smiles
COC(=O)c1cc2c(s1)ccc(c2)N
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AB17471
ChemicalName: Methyl 5-amino-1-benzothiophene-2-carboxylate
CasNumber: 20699-85-8
MolecularFormula: C10H9NO2S
MolecularWeight: 207.249
MdlNumber: MFCD04123924
Smiles: COC(=O)c1cc2c(s1)ccc(c2)N
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB17471
ChemicalName:
Methyl 5-amino-1-benzothiophene-2-carboxylate
CasNumber:
20699-85-8
MolecularFormula:
C10H9NO2S
MolecularWeight:
207.249
MdlNumber:
MFCD04123924
Smiles:
COC(=O)c1cc2c(s1)ccc(c2)N
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNCC(c1ccc(c(c1)Cl)Cl)CC=C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCC(c1ccc(c(c1)Cl)Cl)CC=C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB17479
ChemicalName: 2-Amino-5-bromonicotinaldehyde
CasNumber: 206997-15-1
MolecularFormula: C6H5BrN2O
MolecularWeight: 201.0207
MdlNumber: MFCD09607904
Smiles: O=Cc1cc(Br)cnc1N
Complexity: 131
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AB17479
ChemicalName:
2-Amino-5-bromonicotinaldehyde
CasNumber:
206997-15-1
MolecularFormula:
C6H5BrN2O
MolecularWeight:
201.0207
MdlNumber:
MFCD09607904
Smiles:
O=Cc1cc(Br)cnc1N
Complexity:
131
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.O.[Ce]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.O.[Ce]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__