AB75763
226410-00-0 | Methyl 3-chloro-1H-pyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB75763
ChemicalName
Methyl 3-chloro-1H-pyrrole-2-carboxylate
CasNumber
226410-00-0
MolecularFormula
C6H6ClNO2
MolecularWeight
159.5703
MdlNumber
MFCD20661619
Smiles
COC(=O)c1[nH]ccc1Cl
Complexity
140
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AB75763
ChemicalName: Methyl 3-chloro-1H-pyrrole-2-carboxylate
CasNumber: 226410-00-0
MolecularFormula: C6H6ClNO2
MolecularWeight: 159.5703
MdlNumber: MFCD20661619
Smiles: COC(=O)c1[nH]ccc1Cl
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AB75763
ChemicalName:
Methyl 3-chloro-1H-pyrrole-2-carboxylate
CasNumber:
226410-00-0
MolecularFormula:
C6H6ClNO2
MolecularWeight:
159.5703
MdlNumber:
MFCD20661619
Smiles:
COC(=O)c1[nH]ccc1Cl
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AB75764
ChemicalName: Methyl 3-(chlorosulfonyl)benzoate
CasNumber: 63555-50-0
MolecularFormula: C8H7ClO4S
MolecularWeight: 234.6568
MdlNumber: MFCD06408800
Smiles: COC(=O)c1cccc(c1)S(=O)(=O)Cl
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AB75764
ChemicalName:
Methyl 3-(chlorosulfonyl)benzoate
CasNumber:
63555-50-0
MolecularFormula:
C8H7ClO4S
MolecularWeight:
234.6568
MdlNumber:
MFCD06408800
Smiles:
COC(=O)c1cccc(c1)S(=O)(=O)Cl
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: AB75765
ChemicalName: Methyl 3-chlorosulfonylthiophene-2-carboxylate
CasNumber: 59337-92-7
MolecularFormula: C6H5ClO4S2
MolecularWeight: 240.6845
MdlNumber: MFCD00068160
Smiles: COC(=O)c1sccc1S(=O)(=O)Cl
Complexity: 294
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AB75765
ChemicalName:
Methyl 3-chlorosulfonylthiophene-2-carboxylate
CasNumber:
59337-92-7
MolecularFormula:
C6H5ClO4S2
MolecularWeight:
240.6845
MdlNumber:
MFCD00068160
Smiles:
COC(=O)c1sccc1S(=O)(=O)Cl
Complexity:
294
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1sccc1Cl
Complexity: 140
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1sccc1Cl
Complexity:
140
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4