AG65531
5930-92-7 | Ethyl 4-nitro-1H-pyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG65531
ChemicalName
Ethyl 4-nitro-1H-pyrrole-2-carboxylate
CasNumber
5930-92-7
MolecularFormula
C7H8N2O4
MolecularWeight
184.1494
MdlNumber
MFCD00059927
Smiles
[O-][N+](=O)c1cc([nH]c1)C(=O)OCC
NscNumber
50357
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AG65531
ChemicalName: Ethyl 4-nitro-1H-pyrrole-2-carboxylate
CasNumber: 5930-92-7
MolecularFormula: C7H8N2O4
MolecularWeight: 184.1494
MdlNumber: MFCD00059927
Smiles: [O-][N+](=O)c1cc([nH]c1)C(=O)OCC
NscNumber: 50357
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AG65531
ChemicalName:
Ethyl 4-nitro-1H-pyrrole-2-carboxylate
CasNumber:
5930-92-7
MolecularFormula:
C7H8N2O4
MolecularWeight:
184.1494
MdlNumber:
MFCD00059927
Smiles:
[O-][N+](=O)c1cc([nH]c1)C(=O)OCC
NscNumber:
50357
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ncc2c(c1)CNC2.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ncc2c(c1)CNC2.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG65533
ChemicalName: 3-Fluoro-5-methoxyphenylboronic acid
CasNumber: 609807-25-2
MolecularFormula: C7H8BFO3
MolecularWeight: 169.946
MdlNumber: MFCD07363780
Smiles: COc1cc(F)cc(c1)B(O)O
NscNumber: __
Complexity: 145
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AG65533
ChemicalName:
3-Fluoro-5-methoxyphenylboronic acid
CasNumber:
609807-25-2
MolecularFormula:
C7H8BFO3
MolecularWeight:
169.946
MdlNumber:
MFCD07363780
Smiles:
COc1cc(F)cc(c1)B(O)O
NscNumber:
__
Complexity:
145
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AG65534
ChemicalName: Ethyl 2-(2-aminothiazol-5-yl)acetate
CasNumber: 62557-32-8
MolecularFormula: C7H10N2O2S
MolecularWeight: 186.2315
MdlNumber: MFCD01113255
Smiles: CCOC(=O)Cc1cnc(s1)N
NscNumber: __
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.8
CatalogNumber:
AG65534
ChemicalName:
Ethyl 2-(2-aminothiazol-5-yl)acetate
CasNumber:
62557-32-8
MolecularFormula:
C7H10N2O2S
MolecularWeight:
186.2315
MdlNumber:
MFCD01113255
Smiles:
CCOC(=O)Cc1cnc(s1)N
NscNumber:
__
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.8