AA88880
16642-93-6 | 3-Cyanocinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AA88880
ChemicalName
3-Cyanocinnamic acid
CasNumber
16642-93-6
MolecularFormula
C10H7NO2
MolecularWeight
173.16808
MdlNumber
MFCD00182407
Smiles
N#Cc1cccc(c1)C=CC(=O)O
Complexity
261
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AA88880
ChemicalName: 3-Cyanocinnamic acid
CasNumber: 16642-93-6
MolecularFormula: C10H7NO2
MolecularWeight: 173.16808
MdlNumber: MFCD00182407
Smiles: N#Cc1cccc(c1)C=CC(=O)O
Complexity: 261
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AA88880
ChemicalName:
3-Cyanocinnamic acid
CasNumber:
16642-93-6
MolecularFormula:
C10H7NO2
MolecularWeight:
173.16808
MdlNumber:
MFCD00182407
Smiles:
N#Cc1cccc(c1)C=CC(=O)O
Complexity:
261
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
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