AB61730
51546-12-4 | 2-Chloro-5-(methylthio)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB61730
ChemicalName
2-Chloro-5-(methylthio)benzoic acid
CasNumber
51546-12-4
MolecularFormula
C8H7ClO2S
MolecularWeight
202.658
MdlNumber
MFCD00009721
Smiles
CSc1ccc(c(c1)C(=O)O)Cl
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AB61730
ChemicalName: 2-Chloro-5-(methylthio)benzoic acid
CasNumber: 51546-12-4
MolecularFormula: C8H7ClO2S
MolecularWeight: 202.658
MdlNumber: MFCD00009721
Smiles: CSc1ccc(c(c1)C(=O)O)Cl
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AB61730
ChemicalName:
2-Chloro-5-(methylthio)benzoic acid
CasNumber:
51546-12-4
MolecularFormula:
C8H7ClO2S
MolecularWeight:
202.658
MdlNumber:
MFCD00009721
Smiles:
CSc1ccc(c(c1)C(=O)O)Cl
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: AB61731
ChemicalName: 1-Chloro-2-nitro-4-(trifluoromethoxy)benzene
CasNumber: 588-09-0
MolecularFormula: C7H3ClF3NO3
MolecularWeight: 241.5518
MdlNumber: MFCD13194447
Smiles: [O-][N+](=O)c1cc(ccc1Cl)OC(F)(F)F
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.5
CatalogNumber:
AB61731
ChemicalName:
1-Chloro-2-nitro-4-(trifluoromethoxy)benzene
CasNumber:
588-09-0
MolecularFormula:
C7H3ClF3NO3
MolecularWeight:
241.5518
MdlNumber:
MFCD13194447
Smiles:
[O-][N+](=O)c1cc(ccc1Cl)OC(F)(F)F
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.5
CatalogNumber: AB61732
ChemicalName: 2-Chloro-5-(trifluoromethoxy)pyridine
CasNumber: 1206972-45-3
MolecularFormula: C6H3ClF3NO
MolecularWeight: 197.5423
MdlNumber: MFCD18257007
Smiles: Clc1ccc(cn1)OC(F)(F)F
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AB61732
ChemicalName:
2-Chloro-5-(trifluoromethoxy)pyridine
CasNumber:
1206972-45-3
MolecularFormula:
C6H3ClF3NO
MolecularWeight:
197.5423
MdlNumber:
MFCD18257007
Smiles:
Clc1ccc(cn1)OC(F)(F)F
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)c1cc(ccc1Cl)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)c1cc(ccc1Cl)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__