AV18414
174011-58-6 | 4-Oxo-6-(trifluoromethoxy)-4H-chromene-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AV18414
ChemicalName
4-Oxo-6-(trifluoromethoxy)-4H-chromene-2-carboxylic acid
CasNumber
174011-58-6
MolecularFormula
C11H5F3O5
MolecularWeight
274.1496
MdlNumber
MFCD25960034
Smiles
OC(=O)c1cc(=O)c2c(o1)ccc(c2)OC(F)(F)F
Complexity
429
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AV18414
ChemicalName: 4-Oxo-6-(trifluoromethoxy)-4H-chromene-2-carboxylic acid
CasNumber: 174011-58-6
MolecularFormula: C11H5F3O5
MolecularWeight: 274.1496
MdlNumber: MFCD25960034
Smiles: OC(=O)c1cc(=O)c2c(o1)ccc(c2)OC(F)(F)F
Complexity: 429
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AV18414
ChemicalName:
4-Oxo-6-(trifluoromethoxy)-4H-chromene-2-carboxylic acid
CasNumber:
174011-58-6
MolecularFormula:
C11H5F3O5
MolecularWeight:
274.1496
MdlNumber:
MFCD25960034
Smiles:
OC(=O)c1cc(=O)c2c(o1)ccc(c2)OC(F)(F)F
Complexity:
429
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: AV18416
ChemicalName: 2-(Dimethoxymethyl)-2-methylchroman-4-one
CasNumber: 146575-56-6
MolecularFormula: C13H16O4
MolecularWeight: 236.2637
MdlNumber: MFCD30185767
Smiles: COC(C1(C)CC(=O)c2c(O1)cccc2)OC
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AV18416
ChemicalName:
2-(Dimethoxymethyl)-2-methylchroman-4-one
CasNumber:
146575-56-6
MolecularFormula:
C13H16O4
MolecularWeight:
236.2637
MdlNumber:
MFCD30185767
Smiles:
COC(C1(C)CC(=O)c2c(O1)cccc2)OC
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AV18417
ChemicalName: 5-(Dimethylamino)-2-nitrobenzaldehyde
CasNumber: 548798-23-8
MolecularFormula: C9H10N2O3
MolecularWeight: 194.1873
MdlNumber: MFCD05148755
Smiles: O=Cc1cc(ccc1[N+](=O)[O-])N(C)C
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AV18417
ChemicalName:
5-(Dimethylamino)-2-nitrobenzaldehyde
CasNumber:
548798-23-8
MolecularFormula:
C9H10N2O3
MolecularWeight:
194.1873
MdlNumber:
MFCD05148755
Smiles:
O=Cc1cc(ccc1[N+](=O)[O-])N(C)C
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: AV18418
ChemicalName: 2,4,6-Tris(2-bromophenyl)-1,3,5-triazine
CasNumber: 1690315-37-7
MolecularFormula: C21H12Br3N3
MolecularWeight: 546.0521
MdlNumber: MFCD28964711
Smiles: Brc1ccccc1c1nc(nc(n1)c1ccccc1Br)c1ccccc1Br
Complexity: 401
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 7
CatalogNumber:
AV18418
ChemicalName:
2,4,6-Tris(2-bromophenyl)-1,3,5-triazine
CasNumber:
1690315-37-7
MolecularFormula:
C21H12Br3N3
MolecularWeight:
546.0521
MdlNumber:
MFCD28964711
Smiles:
Brc1ccccc1c1nc(nc(n1)c1ccccc1Br)c1ccccc1Br
Complexity:
401
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
7