AI40421
1820641-46-0 | 4-Ethanesulfonyl-3-morpholinonitrobenzene
Manufacturer: A2B Chem
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CatalogNumber
AI40421
ChemicalName
4-Ethanesulfonyl-3-morpholinonitrobenzene
CasNumber
1820641-46-0
MolecularFormula
C12H16N2O5S
MolecularWeight
300.3308
MdlNumber
MFCD25953890
Smiles
CCS(=O)(=O)c1ccc(cc1N1CCOCC1)[N+](=O)[O-]
Complexity
436
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AI40421
ChemicalName: 4-Ethanesulfonyl-3-morpholinonitrobenzene
CasNumber: 1820641-46-0
MolecularFormula: C12H16N2O5S
MolecularWeight: 300.3308
MdlNumber: MFCD25953890
Smiles: CCS(=O)(=O)c1ccc(cc1N1CCOCC1)[N+](=O)[O-]
Complexity: 436
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AI40421
ChemicalName:
4-Ethanesulfonyl-3-morpholinonitrobenzene
CasNumber:
1820641-46-0
MolecularFormula:
C12H16N2O5S
MolecularWeight:
300.3308
MdlNumber:
MFCD25953890
Smiles:
CCS(=O)(=O)c1ccc(cc1N1CCOCC1)[N+](=O)[O-]
Complexity:
436
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1)c1cccc(c1)C(=O)C)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c(c1)c1cccc(c1)C(=O)C)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI40424
ChemicalName: Ethyl 3-(2-fluoropyridin-3-yl)propanoate
CasNumber: 1820641-58-4
MolecularFormula: C10H12FNO2
MolecularWeight: 197.2062
MdlNumber: MFCD27981327
Smiles: CCOC(=O)CCc1cccnc1F
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 1.7
CatalogNumber:
AI40424
ChemicalName:
Ethyl 3-(2-fluoropyridin-3-yl)propanoate
CasNumber:
1820641-58-4
MolecularFormula:
C10H12FNO2
MolecularWeight:
197.2062
MdlNumber:
MFCD27981327
Smiles:
CCOC(=O)CCc1cccnc1F
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
1.7
CatalogNumber: AI40426
ChemicalName: 1,3-Dimethyl 2-(5-methyl-3-nitropyridin-2-yl)propanedioate
CasNumber: 1820641-61-9
MolecularFormula: C11H12N2O6
MolecularWeight: 268.2228
MdlNumber: MFCD28096661
Smiles: COC(=O)C(c1ncc(cc1[N+](=O)[O-])C)C(=O)OC
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
RotatableBondCount: 5
Xlogp3: 1
CatalogNumber:
AI40426
ChemicalName:
1,3-Dimethyl 2-(5-methyl-3-nitropyridin-2-yl)propanedioate
CasNumber:
1820641-61-9
MolecularFormula:
C11H12N2O6
MolecularWeight:
268.2228
MdlNumber:
MFCD28096661
Smiles:
COC(=O)C(c1ncc(cc1[N+](=O)[O-])C)C(=O)OC
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
RotatableBondCount:
5
Xlogp3:
1