AB44929
327-78-6 | 4-Chloro-3-(trifluoromethyl)phenyl isocyanate
Manufacturer: A2B Chem
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CatalogNumber
AB44929
ChemicalName
4-Chloro-3-(trifluoromethyl)phenyl isocyanate
CasNumber
327-78-6
MolecularFormula
C8H3ClF3NO
MolecularWeight
221.5637
MdlNumber
MFCD00013874
Smiles
O=C=Nc1ccc(c(c1)C(F)(F)F)Cl
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
5
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CatalogNumber: AB44929
ChemicalName: 4-Chloro-3-(trifluoromethyl)phenyl isocyanate
CasNumber: 327-78-6
MolecularFormula: C8H3ClF3NO
MolecularWeight: 221.5637
MdlNumber: MFCD00013874
Smiles: O=C=Nc1ccc(c(c1)C(F)(F)F)Cl
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 5
CatalogNumber:
AB44929
ChemicalName:
4-Chloro-3-(trifluoromethyl)phenyl isocyanate
CasNumber:
327-78-6
MolecularFormula:
C8H3ClF3NO
MolecularWeight:
221.5637
MdlNumber:
MFCD00013874
Smiles:
O=C=Nc1ccc(c(c1)C(F)(F)F)Cl
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
5
CatalogNumber: AB44930
ChemicalName: Methyl 4-chloro-3-(cyanomethyl)benzoate
CasNumber: 872091-83-3
MolecularFormula: C10H8ClNO2
MolecularWeight: 209.629
MdlNumber: MFCD09263465
Smiles: N#CCc1cc(ccc1Cl)C(=O)OC
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AB44930
ChemicalName:
Methyl 4-chloro-3-(cyanomethyl)benzoate
CasNumber:
872091-83-3
MolecularFormula:
C10H8ClNO2
MolecularWeight:
209.629
MdlNumber:
MFCD09263465
Smiles:
N#CCc1cc(ccc1Cl)C(=O)OC
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AB44931
ChemicalName: 4'-Chloro-3'-fluoroacetophenone
CasNumber: 151945-84-5
MolecularFormula: C8H6ClFO
MolecularWeight: 172.584
MdlNumber: MFCD04115858
Smiles: CC(=O)c1ccc(c(c1)F)Cl
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AB44931
ChemicalName:
4'-Chloro-3'-fluoroacetophenone
CasNumber:
151945-84-5
MolecularFormula:
C8H6ClFO
MolecularWeight:
172.584
MdlNumber:
MFCD04115858
Smiles:
CC(=O)c1ccc(c(c1)F)Cl
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: AB44932
ChemicalName: 4-Chloro-3-fluorobenzonitrile
CasNumber: 110888-15-8
MolecularFormula: C7H3ClFN
MolecularWeight: 155.5568
MdlNumber: MFCD00143291
Smiles: N#Cc1ccc(c(c1)F)Cl
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
AB44932
ChemicalName:
4-Chloro-3-fluorobenzonitrile
CasNumber:
110888-15-8
MolecularFormula:
C7H3ClFN
MolecularWeight:
155.5568
MdlNumber:
MFCD00143291
Smiles:
N#Cc1ccc(c(c1)F)Cl
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
2.4