AB03064
18355-74-3 | Methyl 2,3-difluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB03064
ChemicalName
Methyl 2,3-difluorobenzoate
CasNumber
18355-74-3
MolecularFormula
C8H6F2O2
MolecularWeight
172.1288
MdlNumber
MFCD06203674
Smiles
COC(=O)c1cccc(c1F)F
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AB03064
ChemicalName: Methyl 2,3-difluorobenzoate
CasNumber: 18355-74-3
MolecularFormula: C8H6F2O2
MolecularWeight: 172.1288
MdlNumber: MFCD06203674
Smiles: COC(=O)c1cccc(c1F)F
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB03064
ChemicalName:
Methyl 2,3-difluorobenzoate
CasNumber:
18355-74-3
MolecularFormula:
C8H6F2O2
MolecularWeight:
172.1288
MdlNumber:
MFCD06203674
Smiles:
COC(=O)c1cccc(c1F)F
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: __
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Smiles: ClC(=O)c1cccc(c1F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
ClC(=O)c1cccc(c1F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: [N-]=[N+]=N[C@H]([C@@H](C(=O)N([C@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C(=O)N[C@H](c1nccs1)Cc1ccccc1)C)OC)OC)[C@H](CC)C)C)NC(=O)[C@@H](N(C)C)C(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[N-]=[N+]=N[C@H]([C@@H](C(=O)N([C@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C(=O)N[C@H](c1nccs1)Cc1ccccc1)C)OC)OC)[C@H](CC)C)C)NC(=O)[C@@H](N(C)C)C(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC([N+](=O)[O-])(CN=[N+]=[N-])C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC([N+](=O)[O-])(CN=[N+]=[N-])C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__