AB50368
220880-12-6 | 4-(Trifluoromethyl)pyrimidine-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50368
ChemicalName
4-(Trifluoromethyl)pyrimidine-5-carboxylic acid
CasNumber
220880-12-6
MolecularFormula
C6H3F3N2O2
MolecularWeight
192.0954
MdlNumber
MFCD11106713
Smiles
OC(=O)c1cncnc1C(F)(F)F
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AB50368
ChemicalName: 4-(Trifluoromethyl)pyrimidine-5-carboxylic acid
CasNumber: 220880-12-6
MolecularFormula: C6H3F3N2O2
MolecularWeight: 192.0954
MdlNumber: MFCD11106713
Smiles: OC(=O)c1cncnc1C(F)(F)F
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AB50368
ChemicalName:
4-(Trifluoromethyl)pyrimidine-5-carboxylic acid
CasNumber:
220880-12-6
MolecularFormula:
C6H3F3N2O2
MolecularWeight:
192.0954
MdlNumber:
MFCD11106713
Smiles:
OC(=O)c1cncnc1C(F)(F)F
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: AB50369
ChemicalName: 1-Benzyl-4-piperidinecarboxaldehyde
CasNumber: 22065-85-6
MolecularFormula: C13H17NO
MolecularWeight: 203.2802
MdlNumber: MFCD02258902
Smiles: O=CC1CCN(CC1)Cc1ccccc1
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AB50369
ChemicalName:
1-Benzyl-4-piperidinecarboxaldehyde
CasNumber:
22065-85-6
MolecularFormula:
C13H17NO
MolecularWeight:
203.2802
MdlNumber:
MFCD02258902
Smiles:
O=CC1CCN(CC1)Cc1ccccc1
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cnc(cn1)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cnc(cn1)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1ccoc(c1O)C
Complexity: 200
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1ccoc(c1O)C
Complexity:
200
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.4