AB64709
3226-46-8 | 3-Chloro-4-thiocyanatoaniline
Manufacturer: A2B Chem
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CatalogNumber
AB64709
ChemicalName
3-Chloro-4-thiocyanatoaniline
CasNumber
3226-46-8
MolecularFormula
C7H5ClN2S
MolecularWeight
184.646
MdlNumber
MFCD07613584
Smiles
N#CSc1ccc(cc1Cl)N
Complexity
177
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AB64709
ChemicalName: 3-Chloro-4-thiocyanatoaniline
CasNumber: 3226-46-8
MolecularFormula: C7H5ClN2S
MolecularWeight: 184.646
MdlNumber: MFCD07613584
Smiles: N#CSc1ccc(cc1Cl)N
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB64709
ChemicalName:
3-Chloro-4-thiocyanatoaniline
CasNumber:
3226-46-8
MolecularFormula:
C7H5ClN2S
MolecularWeight:
184.646
MdlNumber:
MFCD07613584
Smiles:
N#CSc1ccc(cc1Cl)N
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: AB64710
ChemicalName: 3-Chloro-5-(chlorocarbonyl)phenylboronic acid, anhydride
CasNumber: 957120-24-0
MolecularFormula: C14H8B2Cl4O5
MolecularWeight: 419.6443
MdlNumber: MFCD09475900
Smiles: Clc1cc(cc(c1)C(=O)Cl)B(OB(c1cc(Cl)cc(c1)C(=O)Cl)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB64710
ChemicalName:
3-Chloro-5-(chlorocarbonyl)phenylboronic acid, anhydride
CasNumber:
957120-24-0
MolecularFormula:
C14H8B2Cl4O5
MolecularWeight:
419.6443
MdlNumber:
MFCD09475900
Smiles:
Clc1cc(cc(c1)C(=O)Cl)B(OB(c1cc(Cl)cc(c1)C(=O)Cl)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB64711
ChemicalName: 3-Chloro-5-(trifluoromethoxy)benzoic acid
CasNumber: 433926-46-6
MolecularFormula: C8H4ClF3O3
MolecularWeight: 240.5638
MdlNumber: MFCD06660306
Smiles: Clc1cc(cc(c1)C(=O)O)OC(F)(F)F
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AB64711
ChemicalName:
3-Chloro-5-(trifluoromethoxy)benzoic acid
CasNumber:
433926-46-6
MolecularFormula:
C8H4ClF3O3
MolecularWeight:
240.5638
MdlNumber:
MFCD06660306
Smiles:
Clc1cc(cc(c1)C(=O)O)OC(F)(F)F
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1cc(cc(c1)Cl)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1cc(cc(c1)Cl)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__