AB68558
76143-33-4 | 5-(Methoxycarbonyl)-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB68558
ChemicalName
5-(Methoxycarbonyl)-2-nitrobenzoic acid
CasNumber
76143-33-4
MolecularFormula
C9H7NO6
MolecularWeight
225.155
MdlNumber
MFCD08690063
Smiles
COC(=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AB68558
ChemicalName: 5-(Methoxycarbonyl)-2-nitrobenzoic acid
CasNumber: 76143-33-4
MolecularFormula: C9H7NO6
MolecularWeight: 225.155
MdlNumber: MFCD08690063
Smiles: COC(=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AB68558
ChemicalName:
5-(Methoxycarbonyl)-2-nitrobenzoic acid
CasNumber:
76143-33-4
MolecularFormula:
C9H7NO6
MolecularWeight:
225.155
MdlNumber:
MFCD08690063
Smiles:
COC(=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: AB68559
ChemicalName: 5-(Methoxycarbonyl)pyrrole-2-boronic acid, pinacol ester
CasNumber: 676501-89-6
MolecularFormula: C12H18BNO4
MolecularWeight: 251.0866
MdlNumber: MFCD11855971
Smiles: COC(=O)c1ccc([nH]1)B1OC(C(O1)(C)C)(C)C
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB68559
ChemicalName:
5-(Methoxycarbonyl)pyrrole-2-boronic acid, pinacol ester
CasNumber:
676501-89-6
MolecularFormula:
C12H18BNO4
MolecularWeight:
251.0866
MdlNumber:
MFCD11855971
Smiles:
COC(=O)c1ccc([nH]1)B1OC(C(O1)(C)C)(C)C
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: AB68560
ChemicalName: 5-(Methylsulfonyl)-2-pyridinecarboxylic acid
CasNumber: 1186663-48-8
MolecularFormula: C7H7NO4S
MolecularWeight: 201.1998
MdlNumber: MFCD12828706
Smiles: OC(=O)c1ccc(cn1)S(=O)(=O)C
Complexity: 292
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AB68560
ChemicalName:
5-(Methylsulfonyl)-2-pyridinecarboxylic acid
CasNumber:
1186663-48-8
MolecularFormula:
C7H7NO4S
MolecularWeight:
201.1998
MdlNumber:
MFCD12828706
Smiles:
OC(=O)c1ccc(cn1)S(=O)(=O)C
Complexity:
292
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: AB68561
ChemicalName: 5-(Methylsulfonyl)nicotinic acid
CasNumber: 893723-59-6
MolecularFormula: C7H7NO4S
MolecularWeight: 201.19978
MdlNumber: MFCD06254799
Smiles: OC(=O)c1cncc(c1)S(=O)(=O)C
Complexity: 292
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.4
CatalogNumber:
AB68561
ChemicalName:
5-(Methylsulfonyl)nicotinic acid
CasNumber:
893723-59-6
MolecularFormula:
C7H7NO4S
MolecularWeight:
201.19978
MdlNumber:
MFCD06254799
Smiles:
OC(=O)c1cncc(c1)S(=O)(=O)C
Complexity:
292
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.4