AV18849
36131-47-2 | Ethyl 5-formyl-4-nitro-1H-pyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18849
ChemicalName
Ethyl 5-formyl-4-nitro-1H-pyrrole-2-carboxylate
CasNumber
36131-47-2
MolecularFormula
C8H8N2O5
MolecularWeight
212.1595
MdlNumber
MFCD25962723
Smiles
CCOC(=O)c1[nH]c(c(c1)[N+](=O)[O-])C=O
Complexity
275
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.9
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CatalogNumber: AV18849
ChemicalName: Ethyl 5-formyl-4-nitro-1H-pyrrole-2-carboxylate
CasNumber: 36131-47-2
MolecularFormula: C8H8N2O5
MolecularWeight: 212.1595
MdlNumber: MFCD25962723
Smiles: CCOC(=O)c1[nH]c(c(c1)[N+](=O)[O-])C=O
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AV18849
ChemicalName:
Ethyl 5-formyl-4-nitro-1H-pyrrole-2-carboxylate
CasNumber:
36131-47-2
MolecularFormula:
C8H8N2O5
MolecularWeight:
212.1595
MdlNumber:
MFCD25962723
Smiles:
CCOC(=O)c1[nH]c(c(c1)[N+](=O)[O-])C=O
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cnc(nc1)[C@H](O)C
Complexity: 102
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cnc(nc1)[C@H](O)C
Complexity:
102
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.6
CatalogNumber: AV18851
ChemicalName: (E)-Methyl 3-(3-(N-phenylsulfamoyl)phenyl)acrylate
CasNumber: 866323-86-6
MolecularFormula: C16H15NO4S
MolecularWeight: 317.3596
MdlNumber: MFCD20526565
Smiles: COC(=O)/C=C/c1cccc(c1)S(=O)(=O)Nc1ccccc1
Complexity: 489
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2.7
CatalogNumber:
AV18851
ChemicalName:
(E)-Methyl 3-(3-(N-phenylsulfamoyl)phenyl)acrylate
CasNumber:
866323-86-6
MolecularFormula:
C16H15NO4S
MolecularWeight:
317.3596
MdlNumber:
MFCD20526565
Smiles:
COC(=O)/C=C/c1cccc(c1)S(=O)(=O)Nc1ccccc1
Complexity:
489
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)SC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)SC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__