AB62489
4864-01-1 | 2-Methoxy-5-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB62489
ChemicalName
2-Methoxy-5-(trifluoromethyl)benzoic acid
CasNumber
4864-01-1
MolecularFormula
C9H7F3O3
MolecularWeight
220.1452896
MdlNumber
MFCD01862091
Smiles
COc1ccc(cc1C(=O)O)C(F)(F)F
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AB62489
ChemicalName: 2-Methoxy-5-(trifluoromethyl)benzoic acid
CasNumber: 4864-01-1
MolecularFormula: C9H7F3O3
MolecularWeight: 220.1452896
MdlNumber: MFCD01862091
Smiles: COc1ccc(cc1C(=O)O)C(F)(F)F
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AB62489
ChemicalName:
2-Methoxy-5-(trifluoromethyl)benzoic acid
CasNumber:
4864-01-1
MolecularFormula:
C9H7F3O3
MolecularWeight:
220.1452896
MdlNumber:
MFCD01862091
Smiles:
COc1ccc(cc1C(=O)O)C(F)(F)F
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: AB62490
ChemicalName: 2-Methoxy-5-(trifluoromethyl)benzonitrile
CasNumber: 34636-92-5
MolecularFormula: C9H6F3NO
MolecularWeight: 201.1452
MdlNumber: MFCD06409082
Smiles: N#Cc1cc(ccc1OC)C(F)(F)F
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB62490
ChemicalName:
2-Methoxy-5-(trifluoromethyl)benzonitrile
CasNumber:
34636-92-5
MolecularFormula:
C9H6F3NO
MolecularWeight:
201.1452
MdlNumber:
MFCD06409082
Smiles:
N#Cc1cc(ccc1OC)C(F)(F)F
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1cc(ccc1OC)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1cc(ccc1OC)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB62492
ChemicalName: 2-Methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CasNumber: 614-13-1
MolecularFormula: C8H8O3
MolecularWeight: 152.1473
MdlNumber: MFCD00034660
Smiles: COC1=CC(=O)C(=CC1=O)C
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AB62492
ChemicalName:
2-Methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CasNumber:
614-13-1
MolecularFormula:
C8H8O3
MolecularWeight:
152.1473
MdlNumber:
MFCD00034660
Smiles:
COC1=CC(=O)C(=CC1=O)C
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
0.6