AB46498
89942-77-8 | Methyl 3-hydroxy-2-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB46498
ChemicalName
Methyl 3-hydroxy-2-nitrobenzoate
CasNumber
89942-77-8
MolecularFormula
C8H7NO5
MolecularWeight
197.1449
MdlNumber
MFCD00013676
Smiles
[O-][N+](=O)c1c(cccc1O)C(=O)OC
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AB46498
ChemicalName: Methyl 3-hydroxy-2-nitrobenzoate
CasNumber: 89942-77-8
MolecularFormula: C8H7NO5
MolecularWeight: 197.1449
MdlNumber: MFCD00013676
Smiles: [O-][N+](=O)c1c(cccc1O)C(=O)OC
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB46498
ChemicalName:
Methyl 3-hydroxy-2-nitrobenzoate
CasNumber:
89942-77-8
MolecularFormula:
C8H7NO5
MolecularWeight:
197.1449
MdlNumber:
MFCD00013676
Smiles:
[O-][N+](=O)c1c(cccc1O)C(=O)OC
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: AB46499
ChemicalName: Methyl 3-iodobenzoate
CasNumber: 618-91-7
MolecularFormula: C8H7IO2
MolecularWeight: 262.0444
MdlNumber: MFCD00061093
Smiles: COC(=O)c1cccc(c1)I
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AB46499
ChemicalName:
Methyl 3-iodobenzoate
CasNumber:
618-91-7
MolecularFormula:
C8H7IO2
MolecularWeight:
262.0444
MdlNumber:
MFCD00061093
Smiles:
COC(=O)c1cccc(c1)I
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CO/C=C/C(=O)OC
Complexity: 95.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CO/C=C/C(=O)OC
Complexity:
95.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.3
CatalogNumber: AB46501
ChemicalName: Methyl 3-oxo-3,4-dihydro-2h-1,4-benzothiazine-6-carboxylate
CasNumber: 188614-01-9
MolecularFormula: C10H9NO3S
MolecularWeight: 223.2484
MdlNumber: MFCD00449104
Smiles: COC(=O)c1ccc2c(c1)NC(=O)CS2
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB46501
ChemicalName:
Methyl 3-oxo-3,4-dihydro-2h-1,4-benzothiazine-6-carboxylate
CasNumber:
188614-01-9
MolecularFormula:
C10H9NO3S
MolecularWeight:
223.2484
MdlNumber:
MFCD00449104
Smiles:
COC(=O)c1ccc2c(c1)NC(=O)CS2
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3