AB93715
887267-03-0 | 3,6-Difluoro-2-methoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB93715
ChemicalName
3,6-Difluoro-2-methoxybenzoic acid
CasNumber
887267-03-0
MolecularFormula
C8H6F2O3
MolecularWeight
188.1282
MdlNumber
MFCD05664268
Smiles
COc1c(F)ccc(c1C(=O)O)F
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AB93715
ChemicalName: 3,6-Difluoro-2-methoxybenzoic acid
CasNumber: 887267-03-0
MolecularFormula: C8H6F2O3
MolecularWeight: 188.1282
MdlNumber: MFCD05664268
Smiles: COc1c(F)ccc(c1C(=O)O)F
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AB93715
ChemicalName:
3,6-Difluoro-2-methoxybenzoic acid
CasNumber:
887267-03-0
MolecularFormula:
C8H6F2O3
MolecularWeight:
188.1282
MdlNumber:
MFCD05664268
Smiles:
COc1c(F)ccc(c1C(=O)O)F
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.2
CatalogNumber: AB93716
ChemicalName: 3-Fluoro-4-iodobenzonitrile
CasNumber: 887266-99-1
MolecularFormula: C7H3FIN
MolecularWeight: 247.0083
MdlNumber: MFCD07782076
Smiles: N#Cc1ccc(c(c1)F)I
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
AB93716
ChemicalName:
3-Fluoro-4-iodobenzonitrile
CasNumber:
887266-99-1
MolecularFormula:
C7H3FIN
MolecularWeight:
247.0083
MdlNumber:
MFCD07782076
Smiles:
N#Cc1ccc(c(c1)F)I
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(Br)cc(c1)C(=O)Cl
Complexity: 165
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(Br)cc(c1)C(=O)Cl
Complexity:
165
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1oc2c(c1N)ccc(c2)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1oc2c(c1N)ccc(c2)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__