AA62843
140647-01-4 | 4-Hydroxy-5-methoxy-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA62843
ChemicalName
4-Hydroxy-5-methoxy-2-nitrobenzoic acid
CasNumber
140647-01-4
MolecularFormula
C8H7NO6
MolecularWeight
213.1443
MdlNumber
MFCD22627819
Smiles
COc1cc(C(=O)O)c(cc1O)[N+](=O)[O-]
Complexity
262
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.9
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CatalogNumber: AA62843
ChemicalName: 4-Hydroxy-5-methoxy-2-nitrobenzoic acid
CasNumber: 140647-01-4
MolecularFormula: C8H7NO6
MolecularWeight: 213.1443
MdlNumber: MFCD22627819
Smiles: COc1cc(C(=O)O)c(cc1O)[N+](=O)[O-]
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AA62843
ChemicalName:
4-Hydroxy-5-methoxy-2-nitrobenzoic acid
CasNumber:
140647-01-4
MolecularFormula:
C8H7NO6
MolecularWeight:
213.1443
MdlNumber:
MFCD22627819
Smiles:
COc1cc(C(=O)O)c(cc1O)[N+](=O)[O-]
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cnc2c(c1O)ccc(c2)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cnc2c(c1O)ccc(c2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA62847
ChemicalName: 2-Aminomethyl-4-Boc-morpholine
CasNumber: 140645-53-0
MolecularFormula: C10H20N2O3
MolecularWeight: 216.2774
MdlNumber: MFCD06410633
Smiles: NCC1OCCN(C1)C(=O)OC(C)(C)C
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AA62847
ChemicalName:
2-Aminomethyl-4-Boc-morpholine
CasNumber:
140645-53-0
MolecularFormula:
C10H20N2O3
MolecularWeight:
216.2774
MdlNumber:
MFCD06410633
Smiles:
NCC1OCCN(C1)C(=O)OC(C)(C)C
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(OC(=O)c1ccccc1S(=O)(=O)N)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(OC(=O)c1ccccc1S(=O)(=O)N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__