AA31345
1256789-55-5 | 2-Bromo-5-methoxyisonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AA31345
ChemicalName
2-Bromo-5-methoxyisonicotinic acid
CasNumber
1256789-55-5
MolecularFormula
C7H6BrNO3
MolecularWeight
232.0314
MdlNumber
MFCD18257535
Smiles
COc1cnc(cc1C(=O)O)Br
Complexity
176
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AA31345
ChemicalName: 2-Bromo-5-methoxyisonicotinic acid
CasNumber: 1256789-55-5
MolecularFormula: C7H6BrNO3
MolecularWeight: 232.0314
MdlNumber: MFCD18257535
Smiles: COc1cnc(cc1C(=O)O)Br
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AA31345
ChemicalName:
2-Bromo-5-methoxyisonicotinic acid
CasNumber:
1256789-55-5
MolecularFormula:
C7H6BrNO3
MolecularWeight:
232.0314
MdlNumber:
MFCD18257535
Smiles:
COc1cnc(cc1C(=O)O)Br
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(Cl)cnc1C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(Cl)cnc1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA31347
ChemicalName: Methyl 6-chloro-2,4-dimethylnicotinate
CasNumber: 1256789-09-9
MolecularFormula: C9H10ClNO2
MolecularWeight: 199.6342
MdlNumber: MFCD18258696
Smiles: COC(=O)c1c(C)cc(nc1C)Cl
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AA31347
ChemicalName:
Methyl 6-chloro-2,4-dimethylnicotinate
CasNumber:
1256789-09-9
MolecularFormula:
C9H10ClNO2
MolecularWeight:
199.6342
MdlNumber:
MFCD18258696
Smiles:
COC(=O)c1c(C)cc(nc1C)Cl
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cnc2c(c1)cn[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cnc2c(c1)cn[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__