AD37877
112822-85-2 | 3-Methyl-2,4,5-trifluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD37877
ChemicalName
3-Methyl-2,4,5-trifluorobenzoic acid
CasNumber
112822-85-2
MolecularFormula
C8H5F3O2
MolecularWeight
190.1193
MdlNumber
MFCD04972492
Smiles
OC(=O)c1cc(F)c(c(c1F)C)F
Complexity
210
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AD37877
ChemicalName: 3-Methyl-2,4,5-trifluorobenzoic acid
CasNumber: 112822-85-2
MolecularFormula: C8H5F3O2
MolecularWeight: 190.1193
MdlNumber: MFCD04972492
Smiles: OC(=O)c1cc(F)c(c(c1F)C)F
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AD37877
ChemicalName:
3-Methyl-2,4,5-trifluorobenzoic acid
CasNumber:
112822-85-2
MolecularFormula:
C8H5F3O2
MolecularWeight:
190.1193
MdlNumber:
MFCD04972492
Smiles:
OC(=O)c1cc(F)c(c(c1F)C)F
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC2(CC1)CNc1c2cccc1Br)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC2(CC1)CNc1c2cccc1Br)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(c(c1F)OC)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(c(c1F)OC)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD37883
ChemicalName: 3-Methoxy-2,4,5-trifluorobenzonitrile
CasNumber: 112811-63-9
MolecularFormula: C8H4F3NO
MolecularWeight: 187.1187
MdlNumber: MFCD04115323
Smiles: N#Cc1cc(F)c(c(c1F)OC)F
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AD37883
ChemicalName:
3-Methoxy-2,4,5-trifluorobenzonitrile
CasNumber:
112811-63-9
MolecularFormula:
C8H4F3NO
MolecularWeight:
187.1187
MdlNumber:
MFCD04115323
Smiles:
N#Cc1cc(F)c(c(c1F)OC)F
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.9