AC25343
865998-46-5 | Ethyl 5-nitro-1h-imidazole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC25343
ChemicalName
Ethyl 5-nitro-1h-imidazole-2-carboxylate
CasNumber
865998-46-5
MolecularFormula
C6H7N3O4
MolecularWeight
185.13748000000004
MdlNumber
MFCD19442194
Smiles
CCOC(=O)c1ncc([nH]1)N(=O)=O
Complexity
214
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AC25343
ChemicalName: Ethyl 5-nitro-1h-imidazole-2-carboxylate
CasNumber: 865998-46-5
MolecularFormula: C6H7N3O4
MolecularWeight: 185.13748000000004
MdlNumber: MFCD19442194
Smiles: CCOC(=O)c1ncc([nH]1)N(=O)=O
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AC25343
ChemicalName:
Ethyl 5-nitro-1h-imidazole-2-carboxylate
CasNumber:
865998-46-5
MolecularFormula:
C6H7N3O4
MolecularWeight:
185.13748000000004
MdlNumber:
MFCD19442194
Smiles:
CCOC(=O)c1ncc([nH]1)N(=O)=O
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OC1C=CS(=O)(=O)C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OC1C=CS(=O)(=O)C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC25345
ChemicalName: 2-t-Butyl-E-vinylboronic acid
CasNumber: 86595-37-1
MolecularFormula: C6H13BO2
MolecularWeight: 127.97722000000002
MdlNumber: MFCD01074624
Smiles: OB(/C=C/C(C)(C)C)O
Complexity: 102
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AC25345
ChemicalName:
2-t-Butyl-E-vinylboronic acid
CasNumber:
86595-37-1
MolecularFormula:
C6H13BO2
MolecularWeight:
127.97722000000002
MdlNumber:
MFCD01074624
Smiles:
OB(/C=C/C(C)(C)C)O
Complexity:
102
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=N)C(C(C(C(C(C(C(C(C(=N)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=N)C(C(C(C(C(C(C(C(C(=N)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__