AG21526
54221-93-1 | 2,6-Dimethylisonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AG21526
ChemicalName
2,6-Dimethylisonicotinic acid
CasNumber
54221-93-1
MolecularFormula
C8H9NO2
MolecularWeight
151.1626
MdlNumber
MFCD03731176
Smiles
OC(=O)c1cc(C)nc(c1)C
Complexity
148
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AG21526
ChemicalName: 2,6-Dimethylisonicotinic acid
CasNumber: 54221-93-1
MolecularFormula: C8H9NO2
MolecularWeight: 151.1626
MdlNumber: MFCD03731176
Smiles: OC(=O)c1cc(C)nc(c1)C
Complexity: 148
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AG21526
ChemicalName:
2,6-Dimethylisonicotinic acid
CasNumber:
54221-93-1
MolecularFormula:
C8H9NO2
MolecularWeight:
151.1626
MdlNumber:
MFCD03731176
Smiles:
OC(=O)c1cc(C)nc(c1)C
Complexity:
148
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: AG21528
ChemicalName: 2-Amino-4-chlorobenzotrifluoride
CasNumber: 445-14-7
MolecularFormula: C7H5ClF3N
MolecularWeight: 195.5695
MdlNumber: MFCD08282771
Smiles: Clc1ccc(c(c1)N)C(F)(F)F
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
AG21528
ChemicalName:
2-Amino-4-chlorobenzotrifluoride
CasNumber:
445-14-7
MolecularFormula:
C7H5ClF3N
MolecularWeight:
195.5695
MdlNumber:
MFCD08282771
Smiles:
Clc1ccc(c(c1)N)C(F)(F)F
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: AG21529
ChemicalName: 2-Amino-5-(trifluoromethoxy)benzonitrile
CasNumber: 549488-77-9
MolecularFormula: C8H5F3N2O
MolecularWeight: 202.1333096
MdlNumber: MFCD06408813
Smiles: N#Cc1cc(ccc1N)OC(F)(F)F
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AG21529
ChemicalName:
2-Amino-5-(trifluoromethoxy)benzonitrile
CasNumber:
549488-77-9
MolecularFormula:
C8H5F3N2O
MolecularWeight:
202.1333096
MdlNumber:
MFCD06408813
Smiles:
N#Cc1cc(ccc1N)OC(F)(F)F
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cnc2c(n1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cnc2c(n1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__