AA96547
181073-82-5 | 4-Cyano-2,6-difluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA96547
ChemicalName
4-Cyano-2,6-difluorobenzoic acid
CasNumber
181073-82-5
MolecularFormula
C8H3F2NO2
MolecularWeight
183.1117
MdlNumber
MFCD09835199
Smiles
N#Cc1cc(F)c(c(c1)F)C(=O)O
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AA96547
ChemicalName: 4-Cyano-2,6-difluorobenzoic acid
CasNumber: 181073-82-5
MolecularFormula: C8H3F2NO2
MolecularWeight: 183.1117
MdlNumber: MFCD09835199
Smiles: N#Cc1cc(F)c(c(c1)F)C(=O)O
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AA96547
ChemicalName:
4-Cyano-2,6-difluorobenzoic acid
CasNumber:
181073-82-5
MolecularFormula:
C8H3F2NO2
MolecularWeight:
183.1117
MdlNumber:
MFCD09835199
Smiles:
N#Cc1cc(F)c(c(c1)F)C(=O)O
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CN1CCN(CCN(CCN([C@H](C1)Cc1ccc(cc1)N)CC(=O)O)CC(=O)O)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CN1CCN(CCN(CCN([C@H](C1)Cc1ccc(cc1)N)CC(=O)O)CC(=O)O)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1sc(cc1OC)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1sc(cc1OC)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1sc(cc1OC)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1sc(cc1OC)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__