AI48201
3366-95-8 | 1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol
Manufacturer: A2B Chem
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CatalogNumber
AI48201
ChemicalName
1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol
CasNumber
3366-95-8
MolecularFormula
C7H11N3O3
MolecularWeight
185.18054
MdlNumber
MFCD00864656
Smiles
CC(Cn1c(C)ncc1[N+](=O)[O-])O
NscNumber
759812
Complexity
194
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.2
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CatalogNumber: AI48201
ChemicalName: 1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol
CasNumber: 3366-95-8
MolecularFormula: C7H11N3O3
MolecularWeight: 185.18054
MdlNumber: MFCD00864656
Smiles: CC(Cn1c(C)ncc1[N+](=O)[O-])O
NscNumber: 759812
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.2
CatalogNumber:
AI48201
ChemicalName:
1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol
CasNumber:
3366-95-8
MolecularFormula:
C7H11N3O3
MolecularWeight:
185.18054
MdlNumber:
MFCD00864656
Smiles:
CC(Cn1c(C)ncc1[N+](=O)[O-])O
NscNumber:
759812
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cnc2n1ccnc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cnc2n1ccnc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1)Nc1ncnc2c1cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1)Nc1ncnc2c1cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)CNC(=O)OC(C)(C)C
NscNumber: __
Complexity: 654
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)CNC(=O)OC(C)(C)C
NscNumber:
__
Complexity:
654
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.7