AB68911
54916-66-4 | 5-Bromo-2-methoxynicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB68911
ChemicalName
5-Bromo-2-methoxynicotinic acid
CasNumber
54916-66-4
MolecularFormula
C7H6BrNO3
MolecularWeight
232.0314
MdlNumber
MFCD06656771
Smiles
COc1ncc(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: AB68911
ChemicalName: 5-Bromo-2-methoxynicotinic acid
CasNumber: 54916-66-4
MolecularFormula: C7H6BrNO3
MolecularWeight: 232.0314
MdlNumber: MFCD06656771
Smiles: COc1ncc(cc1C(=O)O)Br
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB68911
ChemicalName:
5-Bromo-2-methoxynicotinic acid
CasNumber:
54916-66-4
MolecularFormula:
C7H6BrNO3
MolecularWeight:
232.0314
MdlNumber:
MFCD06656771
Smiles:
COc1ncc(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: COc1ccc(cn1)Br
Complexity: 89.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cn1)Br
Complexity:
89.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc([N+](=O)[O-])c(c(c1)C(=O)O)C
Complexity: 252
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc([N+](=O)[O-])c(c(c1)C(=O)O)C
Complexity:
252
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: AB68915
ChemicalName: Methyl 5-bromo-2-methyl-3-nitrobenzoate
CasNumber: 220514-28-3
MolecularFormula: C9H8BrNO4
MolecularWeight: 274.0681
MdlNumber: MFCD07781280
Smiles: COC(=O)c1cc(Br)cc(c1C)[N+](=O)[O-]
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AB68915
ChemicalName:
Methyl 5-bromo-2-methyl-3-nitrobenzoate
CasNumber:
220514-28-3
MolecularFormula:
C9H8BrNO4
MolecularWeight:
274.0681
MdlNumber:
MFCD07781280
Smiles:
COC(=O)c1cc(Br)cc(c1C)[N+](=O)[O-]
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.7