AB39129
302912-31-8 | Ethyl 4-cyanobenzoylformate
Manufacturer: A2B Chem
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CatalogNumber
AB39129
ChemicalName
Ethyl 4-cyanobenzoylformate
CasNumber
302912-31-8
MolecularFormula
C11H9NO3
MolecularWeight
203.1941
MdlNumber
MFCD01319614
Smiles
CCOC(=O)C(=O)c1ccc(cc1)C#N
Complexity
294
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
1.7
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CatalogNumber: AB39129
ChemicalName: Ethyl 4-cyanobenzoylformate
CasNumber: 302912-31-8
MolecularFormula: C11H9NO3
MolecularWeight: 203.1941
MdlNumber: MFCD01319614
Smiles: CCOC(=O)C(=O)c1ccc(cc1)C#N
Complexity: 294
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AB39129
ChemicalName:
Ethyl 4-cyanobenzoylformate
CasNumber:
302912-31-8
MolecularFormula:
C11H9NO3
MolecularWeight:
203.1941
MdlNumber:
MFCD01319614
Smiles:
CCOC(=O)C(=O)c1ccc(cc1)C#N
Complexity:
294
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1cc(F)cc(c1)F)CCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1cc(F)cc(c1)F)CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(F)(F)F)c1ccccc1c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(F)(F)F)c1ccccc1c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB39132
ChemicalName: 2,2,2,3',4'-Pentafluoroacetophenone
CasNumber: 302912-28-3
MolecularFormula: C8H3F5O
MolecularWeight: 210.1008
MdlNumber: MFCD01319992
Smiles: O=C(C(F)(F)F)c1ccc(c(c1)F)F
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AB39132
ChemicalName:
2,2,2,3',4'-Pentafluoroacetophenone
CasNumber:
302912-28-3
MolecularFormula:
C8H3F5O
MolecularWeight:
210.1008
MdlNumber:
MFCD01319992
Smiles:
O=C(C(F)(F)F)c1ccc(c(c1)F)F
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
3.1