AB63487
779-89-5 | 3-trifluoromethylcinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63487
ChemicalName
3-trifluoromethylcinnamic acid
CasNumber
779-89-5
MolecularFormula
C10H7F3O2
MolecularWeight
216.15658959999996
MdlNumber
MFCD00004393
Smiles
OC(=O)C=Cc1cccc(c1)C(F)(F)F
Complexity
258
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AB63487
ChemicalName: 3-trifluoromethylcinnamic acid
CasNumber: 779-89-5
MolecularFormula: C10H7F3O2
MolecularWeight: 216.15658959999996
MdlNumber: MFCD00004393
Smiles: OC(=O)C=Cc1cccc(c1)C(F)(F)F
Complexity: 258
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AB63487
ChemicalName:
3-trifluoromethylcinnamic acid
CasNumber:
779-89-5
MolecularFormula:
C10H7F3O2
MolecularWeight:
216.15658959999996
MdlNumber:
MFCD00004393
Smiles:
OC(=O)C=Cc1cccc(c1)C(F)(F)F
Complexity:
258
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=CC(=O)O)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=CC(=O)O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB63489
ChemicalName: 3-(Trifluoromethyl)phenethyl alcohol
CasNumber: 455-01-6
MolecularFormula: C9H9F3O
MolecularWeight: 190.1624
MdlNumber: MFCD00009710
Smiles: OCCc1cccc(c1)C(F)(F)F
Complexity: 155
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB63489
ChemicalName:
3-(Trifluoromethyl)phenethyl alcohol
CasNumber:
455-01-6
MolecularFormula:
C9H9F3O
MolecularWeight:
190.1624
MdlNumber:
MFCD00009710
Smiles:
OCCc1cccc(c1)C(F)(F)F
Complexity:
155
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: AB63490
ChemicalName: 3-(Trifluoromethyl)phenethylamine
CasNumber: 52516-30-0
MolecularFormula: C9H10F3N
MolecularWeight: 189.1776
MdlNumber: MFCD00040756
Smiles: NCCc1cccc(c1)C(F)(F)F
Complexity: 155
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB63490
ChemicalName:
3-(Trifluoromethyl)phenethylamine
CasNumber:
52516-30-0
MolecularFormula:
C9H10F3N
MolecularWeight:
189.1776
MdlNumber:
MFCD00040756
Smiles:
NCCc1cccc(c1)C(F)(F)F
Complexity:
155
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1