AG79798
612845-45-1 | 3-Bromo-5-methoxypyridine-4-boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AG79798
ChemicalName
3-Bromo-5-methoxypyridine-4-boronic acid
CasNumber
612845-45-1
MolecularFormula
C6H7BBrNO3
MolecularWeight
231.8397
MdlNumber
MFCD11040271
Smiles
COc1cncc(c1B(O)O)Br
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
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CatalogNumber: AG79798
ChemicalName: 3-Bromo-5-methoxypyridine-4-boronic acid
CasNumber: 612845-45-1
MolecularFormula: C6H7BBrNO3
MolecularWeight: 231.8397
MdlNumber: MFCD11040271
Smiles: COc1cncc(c1B(O)O)Br
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AG79798
ChemicalName:
3-Bromo-5-methoxypyridine-4-boronic acid
CasNumber:
612845-45-1
MolecularFormula:
C6H7BBrNO3
MolecularWeight:
231.8397
MdlNumber:
MFCD11040271
Smiles:
COc1cncc(c1B(O)O)Br
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: AG79799
ChemicalName: Ethyl 1-cyclohexyl-1,3-benzodiazole-5-carboxylate
CasNumber: 637041-83-9
MolecularFormula: C16H20N2O2
MolecularWeight: 272.3422
MdlNumber: MFCD25953939
Smiles: CCOC(=O)c1ccc2c(c1)ncn2C1CCCCC1
Complexity: 341
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
CatalogNumber:
AG79799
ChemicalName:
Ethyl 1-cyclohexyl-1,3-benzodiazole-5-carboxylate
CasNumber:
637041-83-9
MolecularFormula:
C16H20N2O2
MolecularWeight:
272.3422
MdlNumber:
MFCD25953939
Smiles:
CCOC(=O)c1ccc2c(c1)ncn2C1CCCCC1
Complexity:
341
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
CatalogNumber: AG79801
ChemicalName: Ethyl benzimidazole-5-carboxylate
CasNumber: 58842-61-8
MolecularFormula: C10H10N2O2
MolecularWeight: 190.1986
MdlNumber: MFCD09027455
Smiles: CCOC(=O)c1ccc2c(c1)nc[nH]2
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AG79801
ChemicalName:
Ethyl benzimidazole-5-carboxylate
CasNumber:
58842-61-8
MolecularFormula:
C10H10N2O2
MolecularWeight:
190.1986
MdlNumber:
MFCD09027455
Smiles:
CCOC(=O)c1ccc2c(c1)nc[nH]2
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: AG79802
ChemicalName: 2-Ethoxy-5-nitrobenzoic acid
CasNumber: 57148-23-9
MolecularFormula: C9H9NO5
MolecularWeight: 211.1715
MdlNumber: MFCD05625816
Smiles: CCOc1ccc(cc1C(=O)O)[N+](=O)[O-]
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AG79802
ChemicalName:
2-Ethoxy-5-nitrobenzoic acid
CasNumber:
57148-23-9
MolecularFormula:
C9H9NO5
MolecularWeight:
211.1715
MdlNumber:
MFCD05625816
Smiles:
CCOc1ccc(cc1C(=O)O)[N+](=O)[O-]
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3