AB70014
50995-74-9 | 7-(Diethylamino)-2-oxo-2h-chromene-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB70014
ChemicalName
7-(Diethylamino)-2-oxo-2h-chromene-3-carboxylic acid
CasNumber
50995-74-9
MolecularFormula
C14H15NO4
MolecularWeight
261.2732
MdlNumber
MFCD00068721
Smiles
CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)O)CC
Complexity
400
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.1
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CatalogNumber: AB70014
ChemicalName: 7-(Diethylamino)-2-oxo-2h-chromene-3-carboxylic acid
CasNumber: 50995-74-9
MolecularFormula: C14H15NO4
MolecularWeight: 261.2732
MdlNumber: MFCD00068721
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)O)CC
Complexity: 400
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AB70014
ChemicalName:
7-(Diethylamino)-2-oxo-2h-chromene-3-carboxylic acid
CasNumber:
50995-74-9
MolecularFormula:
C14H15NO4
MolecularWeight:
261.2732
MdlNumber:
MFCD00068721
Smiles:
CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)O)CC
Complexity:
400
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1ccc2c(c1)NCCC2)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1ccc2c(c1)NCCC2)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB70016
ChemicalName: 7-(Trifluoromethyl)imidazo[1,2-a]pyrimidine
CasNumber: 375857-66-2
MolecularFormula: C7H4F3N3
MolecularWeight: 187.122
MdlNumber: MFCD08234997
Smiles: FC(c1ccn2c(n1)ncc2)(F)F
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
AB70016
ChemicalName:
7-(Trifluoromethyl)imidazo[1,2-a]pyrimidine
CasNumber:
375857-66-2
MolecularFormula:
C7H4F3N3
MolecularWeight:
187.122
MdlNumber:
MFCD08234997
Smiles:
FC(c1ccn2c(n1)ncc2)(F)F
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: AB70017
ChemicalName: 7-(Trifluoromethyl)indoline-2,3-dione
CasNumber: 391-12-8
MolecularFormula: C9H4F3NO2
MolecularWeight: 215.1288
MdlNumber: MFCD00001230
Smiles: O=C1C(=O)Nc2c1cccc2C(F)(F)F
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
AB70017
ChemicalName:
7-(Trifluoromethyl)indoline-2,3-dione
CasNumber:
391-12-8
MolecularFormula:
C9H4F3NO2
MolecularWeight:
215.1288
MdlNumber:
MFCD00001230
Smiles:
O=C1C(=O)Nc2c1cccc2C(F)(F)F
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.6