AA36859
1263274-67-4 | 5-Chloro-2-fluoro-4-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36859
ChemicalName
5-Chloro-2-fluoro-4-methylbenzoic acid
CasNumber
1263274-67-4
MolecularFormula
C8H6ClFO2
MolecularWeight
188.5834
MdlNumber
MFCD18426002
Smiles
OC(=O)c1cc(Cl)c(cc1F)C
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AA36859
ChemicalName: 5-Chloro-2-fluoro-4-methylbenzoic acid
CasNumber: 1263274-67-4
MolecularFormula: C8H6ClFO2
MolecularWeight: 188.5834
MdlNumber: MFCD18426002
Smiles: OC(=O)c1cc(Cl)c(cc1F)C
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AA36859
ChemicalName:
5-Chloro-2-fluoro-4-methylbenzoic acid
CasNumber:
1263274-67-4
MolecularFormula:
C8H6ClFO2
MolecularWeight:
188.5834
MdlNumber:
MFCD18426002
Smiles:
OC(=O)c1cc(Cl)c(cc1F)C
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
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MolecularFormula: __
MolecularWeight: __
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Smiles: Clc1ccn2c(n1)c(I)c(n2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1ccn2c(n1)c(I)c(n2)C
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C(CCc1ccc(cc1)Br)CCC(=O)O
Complexity: __
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Smiles:
O=C(CCc1ccc(cc1)Br)CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Cc1cc(C(C)C)n2c(n1)c(Br)c(n2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(C(C)C)n2c(n1)c(Br)c(n2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__