AB09527
2003-79-4 | 2-Oxo-1,2-dihydro-quinoline-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB09527
ChemicalName
2-Oxo-1,2-dihydro-quinoline-3-carboxylic acid
CasNumber
2003-79-4
MolecularFormula
C10H7NO3
MolecularWeight
189.1675
MdlNumber
MFCD01550054
Smiles
OC(=O)c1cc2ccccc2[nH]c1=O
NscNumber
329342
Complexity
309
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.6
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CatalogNumber: AB09527
ChemicalName: 2-Oxo-1,2-dihydro-quinoline-3-carboxylic acid
CasNumber: 2003-79-4
MolecularFormula: C10H7NO3
MolecularWeight: 189.1675
MdlNumber: MFCD01550054
Smiles: OC(=O)c1cc2ccccc2[nH]c1=O
NscNumber: 329342
Complexity: 309
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AB09527
ChemicalName:
2-Oxo-1,2-dihydro-quinoline-3-carboxylic acid
CasNumber:
2003-79-4
MolecularFormula:
C10H7NO3
MolecularWeight:
189.1675
MdlNumber:
MFCD01550054
Smiles:
OC(=O)c1cc2ccccc2[nH]c1=O
NscNumber:
329342
Complexity:
309
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cccc(c1)OC(C(Cl)F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cccc(c1)OC(C(Cl)F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)Cc1cccc(c1)C(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)Cc1cccc(c1)C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB09537
ChemicalName: 3-(Trifluoromethyl)phenacyl bromide
CasNumber: 2003-10-3
MolecularFormula: C9H6BrF3O
MolecularWeight: 267.0425495999999
MdlNumber: MFCD03094283
Smiles: BrCC(=O)c1cccc(c1)C(F)(F)F
NscNumber: __
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AB09537
ChemicalName:
3-(Trifluoromethyl)phenacyl bromide
CasNumber:
2003-10-3
MolecularFormula:
C9H6BrF3O
MolecularWeight:
267.0425495999999
MdlNumber:
MFCD03094283
Smiles:
BrCC(=O)c1cccc(c1)C(F)(F)F
NscNumber:
__
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.3