AI62629
937068-58-1 | 2-Methoxy-3-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI62629
ChemicalName
2-Methoxy-3-(trifluoromethyl)benzoic acid
CasNumber
937068-58-1
MolecularFormula
C9H7F3O3
MolecularWeight
220.1453
MdlNumber
MFCD09832311
Smiles
COc1c(cccc1C(F)(F)F)C(=O)O
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AI62629
ChemicalName: 2-Methoxy-3-(trifluoromethyl)benzoic acid
CasNumber: 937068-58-1
MolecularFormula: C9H7F3O3
MolecularWeight: 220.1453
MdlNumber: MFCD09832311
Smiles: COc1c(cccc1C(F)(F)F)C(=O)O
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AI62629
ChemicalName:
2-Methoxy-3-(trifluoromethyl)benzoic acid
CasNumber:
937068-58-1
MolecularFormula:
C9H7F3O3
MolecularWeight:
220.1453
MdlNumber:
MFCD09832311
Smiles:
COc1c(cccc1C(F)(F)F)C(=O)O
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC(=C(C(=C1)OC(F)(F)F)Cl)C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC(=C(C(=C1)OC(F)(F)F)Cl)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Cc1cc(=O)[nH]c(n1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)Cc1cc(=O)[nH]c(n1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI62632
ChemicalName: 2-(3-Bromophenyl)-1H-indole
CasNumber: 93716-78-0
MolecularFormula: C14H10BrN
MolecularWeight: 272.1399
MdlNumber: MFCD05224892
Smiles: Brc1cccc(c1)c1cc2c([nH]1)cccc2
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 4.4
CatalogNumber:
AI62632
ChemicalName:
2-(3-Bromophenyl)-1H-indole
CasNumber:
93716-78-0
MolecularFormula:
C14H10BrN
MolecularWeight:
272.1399
MdlNumber:
MFCD05224892
Smiles:
Brc1cccc(c1)c1cc2c([nH]1)cccc2
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
4.4