AA30558
125488-14-4 | 2,4-Dichlorophenacyl thiocyanate
Manufacturer: A2B Chem
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CatalogNumber
AA30558
ChemicalName
2,4-Dichlorophenacyl thiocyanate
CasNumber
125488-14-4
MolecularFormula
C9H5Cl2NOS
MolecularWeight
246.1131
MdlNumber
MFCD03453108
Smiles
N#CSCC(=O)c1ccc(cc1Cl)Cl
Complexity
263
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AA30558
ChemicalName: 2,4-Dichlorophenacyl thiocyanate
CasNumber: 125488-14-4
MolecularFormula: C9H5Cl2NOS
MolecularWeight: 246.1131
MdlNumber: MFCD03453108
Smiles: N#CSCC(=O)c1ccc(cc1Cl)Cl
Complexity: 263
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AA30558
ChemicalName:
2,4-Dichlorophenacyl thiocyanate
CasNumber:
125488-14-4
MolecularFormula:
C9H5Cl2NOS
MolecularWeight:
246.1131
MdlNumber:
MFCD03453108
Smiles:
N#CSCC(=O)c1ccc(cc1Cl)Cl
Complexity:
263
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[Si](CCS(=O)(=O)N)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[Si](CCS(=O)(=O)N)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C1(N)CCC1)OCc1ccccc1.Cc1ccc(cc1)S(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C1(N)CCC1)OCc1ccccc1.Cc1ccc(cc1)S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA30564
ChemicalName: 3-Amino-4-(trifluoromethyl)benzoic acid
CasNumber: 125483-00-3
MolecularFormula: C8H6F3NO2
MolecularWeight: 205.1339
MdlNumber: MFCD07784307
Smiles: OC(=O)c1ccc(c(c1)N)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AA30564
ChemicalName:
3-Amino-4-(trifluoromethyl)benzoic acid
CasNumber:
125483-00-3
MolecularFormula:
C8H6F3NO2
MolecularWeight:
205.1339
MdlNumber:
MFCD07784307
Smiles:
OC(=O)c1ccc(c(c1)N)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
1.7