AI44230
196194-57-7 | 2,6-Difluoro-4-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI44230
ChemicalName
2,6-Difluoro-4-nitrobenzoic acid
CasNumber
196194-57-7
MolecularFormula
C7H3F2NO4
MolecularWeight
203.09982639999998
MdlNumber
MFCD11846366
Smiles
[O-][N+](=O)c1cc(F)c(c(c1)F)C(=O)O
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AI44230
ChemicalName: 2,6-Difluoro-4-nitrobenzoic acid
CasNumber: 196194-57-7
MolecularFormula: C7H3F2NO4
MolecularWeight: 203.09982639999998
MdlNumber: MFCD11846366
Smiles: [O-][N+](=O)c1cc(F)c(c(c1)F)C(=O)O
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AI44230
ChemicalName:
2,6-Difluoro-4-nitrobenzoic acid
CasNumber:
196194-57-7
MolecularFormula:
C7H3F2NO4
MolecularWeight:
203.09982639999998
MdlNumber:
MFCD11846366
Smiles:
[O-][N+](=O)c1cc(F)c(c(c1)F)C(=O)O
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=O)c1c[nH]c2c1cccc2)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)c1c[nH]c2c1cccc2)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@H](C1CCCC1)NC(=O)OC(C)(C)C
Complexity: 303
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@H](C1CCCC1)NC(=O)OC(C)(C)C
Complexity:
303
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: AI44233
ChemicalName: Glycyl-l-valine
CasNumber: 1963-21-9
MolecularFormula: C7H14N2O3
MolecularWeight: 174.1977
MdlNumber: MFCD00066046
Smiles: NCC(=O)NC(C(=O)O)C(C)C
Complexity: 180
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: -2.7
CatalogNumber:
AI44233
ChemicalName:
Glycyl-l-valine
CasNumber:
1963-21-9
MolecularFormula:
C7H14N2O3
MolecularWeight:
174.1977
MdlNumber:
MFCD00066046
Smiles:
NCC(=O)NC(C(=O)O)C(C)C
Complexity:
180
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
-2.7