AE24939
1159512-62-5 | 2-Fluoro-3-(trifluoromethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE24939
ChemicalName
2-Fluoro-3-(trifluoromethoxy)benzoic acid
CasNumber
1159512-62-5
MolecularFormula
C8H4F4O3
MolecularWeight
224.1092
MdlNumber
MFCD12026477
Smiles
OC(=O)c1cccc(c1F)OC(F)(F)F
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AE24939
ChemicalName: 2-Fluoro-3-(trifluoromethoxy)benzoic acid
CasNumber: 1159512-62-5
MolecularFormula: C8H4F4O3
MolecularWeight: 224.1092
MdlNumber: MFCD12026477
Smiles: OC(=O)c1cccc(c1F)OC(F)(F)F
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AE24939
ChemicalName:
2-Fluoro-3-(trifluoromethoxy)benzoic acid
CasNumber:
1159512-62-5
MolecularFormula:
C8H4F4O3
MolecularWeight:
224.1092
MdlNumber:
MFCD12026477
Smiles:
OC(=O)c1cccc(c1F)OC(F)(F)F
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: AE24940
ChemicalName: 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one
CasNumber: 103361-68-8
MolecularFormula: C9H8N2O4
MolecularWeight: 208.1708
MdlNumber: MFCD03012694
Smiles: O=C1COc2c(N1C)cc(cc2)[N+](=O)[O-]
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
AE24940
ChemicalName:
4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one
CasNumber:
103361-68-8
MolecularFormula:
C9H8N2O4
MolecularWeight:
208.1708
MdlNumber:
MFCD03012694
Smiles:
O=C1COc2c(N1C)cc(cc2)[N+](=O)[O-]
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1F)c1ccc(cc1)S(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1F)c1ccc(cc1)S(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ncc(c(c1)O)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ncc(c(c1)O)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__