AI32385
1359828-97-9 | (5-Bromo-2-(trifluoromethyl)pyridin-4-yl)methanol
Manufacturer: A2B Chem
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CatalogNumber
AI32385
ChemicalName
(5-Bromo-2-(trifluoromethyl)pyridin-4-yl)methanol
CasNumber
1359828-97-9
MolecularFormula
C7H5BrF3NO
MolecularWeight
256.0199
MdlNumber
MFCD21365105
Smiles
OCc1cc(ncc1Br)C(F)(F)F
Complexity
176
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.6
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CatalogNumber: AI32385
ChemicalName: (5-Bromo-2-(trifluoromethyl)pyridin-4-yl)methanol
CasNumber: 1359828-97-9
MolecularFormula: C7H5BrF3NO
MolecularWeight: 256.0199
MdlNumber: MFCD21365105
Smiles: OCc1cc(ncc1Br)C(F)(F)F
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AI32385
ChemicalName:
(5-Bromo-2-(trifluoromethyl)pyridin-4-yl)methanol
CasNumber:
1359828-97-9
MolecularFormula:
C7H5BrF3NO
MolecularWeight:
256.0199
MdlNumber:
MFCD21365105
Smiles:
OCc1cc(ncc1Br)C(F)(F)F
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: F[B-](c1ccc(cc1)C(=O)N1CCCCC1)(F)F.[K+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
F[B-](c1ccc(cc1)C(=O)N1CCCCC1)(F)F.[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI32387
ChemicalName: (E)-Ethyl 3-(4-morpholinophenyl)acrylate
CasNumber: 1359868-31-7
MolecularFormula: C15H19NO3
MolecularWeight: 261.3163
MdlNumber: MFCD29917047
Smiles: CCOC(=O)/C=C/c1ccc(cc1)N1CCOCC1
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 2.3
CatalogNumber:
AI32387
ChemicalName:
(E)-Ethyl 3-(4-morpholinophenyl)acrylate
CasNumber:
1359868-31-7
MolecularFormula:
C15H19NO3
MolecularWeight:
261.3163
MdlNumber:
MFCD29917047
Smiles:
CCOC(=O)/C=C/c1ccc(cc1)N1CCOCC1
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC(C1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC(C1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__