AD83096
89499-44-5 | 4-Amino-5-chlorothiophene-2-carboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD83096
ChemicalName
4-Amino-5-chlorothiophene-2-carboxylic acid methyl ester
CasNumber
89499-44-5
MolecularFormula
C6H6ClNO2S
MolecularWeight
191.63534
MdlNumber
MFCD00508459
Smiles
COC(=O)c1cc(c(s1)Cl)N
Complexity
167
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AD83096
ChemicalName: 4-Amino-5-chlorothiophene-2-carboxylic acid methyl ester
CasNumber: 89499-44-5
MolecularFormula: C6H6ClNO2S
MolecularWeight: 191.63534
MdlNumber: MFCD00508459
Smiles: COC(=O)c1cc(c(s1)Cl)N
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AD83096
ChemicalName:
4-Amino-5-chlorothiophene-2-carboxylic acid methyl ester
CasNumber:
89499-44-5
MolecularFormula:
C6H6ClNO2S
MolecularWeight:
191.63534
MdlNumber:
MFCD00508459
Smiles:
COC(=O)c1cc(c(s1)Cl)N
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC1COC(=O)O1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC1COC(=O)O1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD83107
ChemicalName: Bicyclo[3.1.0]hexan-3-ol
CasNumber: 89489-26-9
MolecularFormula: C6H10O
MolecularWeight: 98.143
MdlNumber: MFCD09908095
Smiles: OC1CC2C(C1)C2
Complexity: 80.2
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
AD83107
ChemicalName:
Bicyclo[3.1.0]hexan-3-ol
CasNumber:
89489-26-9
MolecularFormula:
C6H10O
MolecularWeight:
98.143
MdlNumber:
MFCD09908095
Smiles:
OC1CC2C(C1)C2
Complexity:
80.2
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: AD83109
ChemicalName: 6-Amino-5-nitropyridine-3-carboxylic acid
CasNumber: 89488-06-2
MolecularFormula: C6H5N3O4
MolecularWeight: 183.1216
MdlNumber: MFCD11100828
Smiles: [O-][N+](=O)c1cc(cnc1N)C(=O)O
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AD83109
ChemicalName:
6-Amino-5-nitropyridine-3-carboxylic acid
CasNumber:
89488-06-2
MolecularFormula:
C6H5N3O4
MolecularWeight:
183.1216
MdlNumber:
MFCD11100828
Smiles:
[O-][N+](=O)c1cc(cnc1N)C(=O)O
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.4