AA88881
16642-92-5 | 4-(Trifluoromethyl)cinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AA88881
ChemicalName
4-(Trifluoromethyl)cinnamic acid
CasNumber
16642-92-5
MolecularFormula
C10H7F3O2
MolecularWeight
216.15658960000005
MdlNumber
MFCD00002696
Smiles
OC(=O)/C=C/c1ccc(cc1)C(F)(F)F
Complexity
250
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AA88881
ChemicalName: 4-(Trifluoromethyl)cinnamic acid
CasNumber: 16642-92-5
MolecularFormula: C10H7F3O2
MolecularWeight: 216.15658960000005
MdlNumber: MFCD00002696
Smiles: OC(=O)/C=C/c1ccc(cc1)C(F)(F)F
Complexity: 250
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AA88881
ChemicalName:
4-(Trifluoromethyl)cinnamic acid
CasNumber:
16642-92-5
MolecularFormula:
C10H7F3O2
MolecularWeight:
216.15658960000005
MdlNumber:
MFCD00002696
Smiles:
OC(=O)/C=C/c1ccc(cc1)C(F)(F)F
Complexity:
250
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: AA88882
ChemicalName: 3-(4-Nitrophenyl)propanoic acid
CasNumber: 16642-79-8
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD00126834
Smiles: OC(=O)CCc1ccc(cc1)[N+](=O)[O-]
Complexity: 215
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AA88882
ChemicalName:
3-(4-Nitrophenyl)propanoic acid
CasNumber:
16642-79-8
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD00126834
Smiles:
OC(=O)CCc1ccc(cc1)[N+](=O)[O-]
Complexity:
215
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: AA88894
ChemicalName: 2-Fluoro-4-(4-methylphenyl)benzonitrile
CasNumber: 166446-31-7
MolecularFormula: C14H10FN
MolecularWeight: 211.2343
MdlNumber: MFCD22375072
Smiles: N#Cc1ccc(cc1F)c1ccc(cc1)C
Complexity: 272
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.7
CatalogNumber:
AA88894
ChemicalName:
2-Fluoro-4-(4-methylphenyl)benzonitrile
CasNumber:
166446-31-7
MolecularFormula:
C14H10FN
MolecularWeight:
211.2343
MdlNumber:
MFCD22375072
Smiles:
N#Cc1ccc(cc1F)c1ccc(cc1)C
Complexity:
272
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(c1ccc(c(c1)O)C(=O)c1cc(ccc1C(=O)O)[N+](=O)[O-])C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(c1ccc(c(c1)O)C(=O)c1cc(ccc1C(=O)O)[N+](=O)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__