AA49795
1369496-50-3 | 4-Cyanofuran-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA49795
ChemicalName
4-Cyanofuran-2-carboxylic acid
CasNumber
1369496-50-3
MolecularFormula
C6H3NO3
MolecularWeight
137.0929
MdlNumber
MFCD09056877
Smiles
N#Cc1coc(c1)C(=O)O
Complexity
192
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AA49795
ChemicalName: 4-Cyanofuran-2-carboxylic acid
CasNumber: 1369496-50-3
MolecularFormula: C6H3NO3
MolecularWeight: 137.0929
MdlNumber: MFCD09056877
Smiles: N#Cc1coc(c1)C(=O)O
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AA49795
ChemicalName:
4-Cyanofuran-2-carboxylic acid
CasNumber:
1369496-50-3
MolecularFormula:
C6H3NO3
MolecularWeight:
137.0929
MdlNumber:
MFCD09056877
Smiles:
N#Cc1coc(c1)C(=O)O
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1c(N)cccc1C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1c(N)cccc1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA49797
ChemicalName: 3-(Difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylic acid
CasNumber: 1369490-06-1
MolecularFormula: C13H9F5N2O3
MolecularWeight: 336.2142
MdlNumber: MFCD30185166
Smiles: Cn1nc(c(c1Oc1cccc(c1)C(F)(F)F)C(=O)O)C(F)F
Complexity: 434
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.2
CatalogNumber:
AA49797
ChemicalName:
3-(Difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylic acid
CasNumber:
1369490-06-1
MolecularFormula:
C13H9F5N2O3
MolecularWeight:
336.2142
MdlNumber:
MFCD30185166
Smiles:
Cn1nc(c(c1Oc1cccc(c1)C(F)(F)F)C(=O)O)C(F)F
Complexity:
434
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1nc2n(n1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1nc2n(n1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__