AC49734
773134-11-5 | Methyl 4-bromo-2,6-difluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AC49734
ChemicalName
Methyl 4-bromo-2,6-difluorobenzoate
CasNumber
773134-11-5
MolecularFormula
C8H5BrF2O2
MolecularWeight
251.0249
MdlNumber
MFCD06204169
Smiles
COC(=O)c1c(F)cc(cc1F)Br
Complexity
189
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AC49734
ChemicalName: Methyl 4-bromo-2,6-difluorobenzoate
CasNumber: 773134-11-5
MolecularFormula: C8H5BrF2O2
MolecularWeight: 251.0249
MdlNumber: MFCD06204169
Smiles: COC(=O)c1c(F)cc(cc1F)Br
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AC49734
ChemicalName:
Methyl 4-bromo-2,6-difluorobenzoate
CasNumber:
773134-11-5
MolecularFormula:
C8H5BrF2O2
MolecularWeight:
251.0249
MdlNumber:
MFCD06204169
Smiles:
COC(=O)c1c(F)cc(cc1F)Br
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: AC49735
ChemicalName: (2E)-3-[6-(Trifluoromethyl)pyridin-3-yl]propenoic acid
CasNumber: 773131-93-4
MolecularFormula: C9H6F3NO2
MolecularWeight: 217.1446
MdlNumber: MFCD06205688
Smiles: OC(=O)/C=C/c1ccc(nc1)C(F)(F)F
Complexity: 263
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AC49735
ChemicalName:
(2E)-3-[6-(Trifluoromethyl)pyridin-3-yl]propenoic acid
CasNumber:
773131-93-4
MolecularFormula:
C9H6F3NO2
MolecularWeight:
217.1446
MdlNumber:
MFCD06205688
Smiles:
OC(=O)/C=C/c1ccc(nc1)C(F)(F)F
Complexity:
263
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
Xlogp3:
1.7
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Smiles: CCOC(=O)c1c[nH]c2c1cccc2C
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CCOC(=O)c1c[nH]c2c1cccc2C
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Smiles: OC(=O)CC(c1ccc(o1)c1ccc(cc1)Br)N
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Smiles:
OC(=O)CC(c1ccc(o1)c1ccc(cc1)Br)N
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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