AA91543
173315-54-3 | 2-Chloro-4-fluoro-3-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA91543
ChemicalName
2-Chloro-4-fluoro-3-methylbenzoic acid
CasNumber
173315-54-3
MolecularFormula
C8H6ClFO2
MolecularWeight
188.5834
MdlNumber
MFCD11846444
Smiles
OC(=O)c1ccc(c(c1Cl)C)F
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AA91543
ChemicalName: 2-Chloro-4-fluoro-3-methylbenzoic acid
CasNumber: 173315-54-3
MolecularFormula: C8H6ClFO2
MolecularWeight: 188.5834
MdlNumber: MFCD11846444
Smiles: OC(=O)c1ccc(c(c1Cl)C)F
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AA91543
ChemicalName:
2-Chloro-4-fluoro-3-methylbenzoic acid
CasNumber:
173315-54-3
MolecularFormula:
C8H6ClFO2
MolecularWeight:
188.5834
MdlNumber:
MFCD11846444
Smiles:
OC(=O)c1ccc(c(c1Cl)C)F
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOc1cc(nc(c1)C(=O)O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOc1cc(nc(c1)C(=O)O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA91547
ChemicalName: 4-Bromo-5-methoxy-2-nitroaniline
CasNumber: 173312-36-2
MolecularFormula: C7H7BrN2O3
MolecularWeight: 247.0461
MdlNumber: MFCD13659425
Smiles: COc1cc(N)c(cc1Br)[N+](=O)[O-]
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AA91547
ChemicalName:
4-Bromo-5-methoxy-2-nitroaniline
CasNumber:
173312-36-2
MolecularFormula:
C7H7BrN2O3
MolecularWeight:
247.0461
MdlNumber:
MFCD13659425
Smiles:
COc1cc(N)c(cc1Br)[N+](=O)[O-]
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCSc1ccccc1C(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCSc1ccccc1C(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__