AB52162
562803-69-4 | 3-(Pyrimidin-2-ylmethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52162
ChemicalName
3-(Pyrimidin-2-ylmethyl)benzoic acid
CasNumber
562803-69-4
MolecularFormula
C12H10N2O2
MolecularWeight
214.22
MdlNumber
MFCD18826004
Smiles
OC(=O)c1cccc(c1)Cc1ncccn1
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AB52162
ChemicalName: 3-(Pyrimidin-2-ylmethyl)benzoic acid
CasNumber: 562803-69-4
MolecularFormula: C12H10N2O2
MolecularWeight: 214.22
MdlNumber: MFCD18826004
Smiles: OC(=O)c1cccc(c1)Cc1ncccn1
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AB52162
ChemicalName:
3-(Pyrimidin-2-ylmethyl)benzoic acid
CasNumber:
562803-69-4
MolecularFormula:
C12H10N2O2
MolecularWeight:
214.22
MdlNumber:
MFCD18826004
Smiles:
OC(=O)c1cccc(c1)Cc1ncccn1
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nsc(c1)N.Cl
Complexity: 66.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nsc(c1)N.Cl
Complexity:
66.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(CCC(F)(F)F)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(CCC(F)(F)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52165
ChemicalName: 3-Chloro-4-trifluoromethylphenylboronic acid
CasNumber: 847756-88-1
MolecularFormula: C7H5BClF3O2
MolecularWeight: 224.3726
MdlNumber: MFCD03788417
Smiles: OB(c1ccc(c(c1)Cl)C(F)(F)F)O
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB52165
ChemicalName:
3-Chloro-4-trifluoromethylphenylboronic acid
CasNumber:
847756-88-1
MolecularFormula:
C7H5BClF3O2
MolecularWeight:
224.3726
MdlNumber:
MFCD03788417
Smiles:
OB(c1ccc(c(c1)Cl)C(F)(F)F)O
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__