AB44193
625-48-9 | 2-Nitroethanol
Manufacturer: A2B Chem
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CatalogNumber
AB44193
ChemicalName
2-Nitroethanol
CasNumber
625-48-9
MolecularFormula
C2H5NO3
MolecularWeight
91.066
MdlNumber
MFCD00007405
Smiles
OCCN(=O)=O
NscNumber
16151
Complexity
47.2
Covalently-bondedUnitCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.4
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CatalogNumber: AB44193
ChemicalName: 2-Nitroethanol
CasNumber: 625-48-9
MolecularFormula: C2H5NO3
MolecularWeight: 91.066
MdlNumber: MFCD00007405
Smiles: OCCN(=O)=O
NscNumber: 16151
Complexity: 47.2
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.4
CatalogNumber:
AB44193
ChemicalName:
2-Nitroethanol
CasNumber:
625-48-9
MolecularFormula:
C2H5NO3
MolecularWeight:
91.066
MdlNumber:
MFCD00007405
Smiles:
OCCN(=O)=O
NscNumber:
16151
Complexity:
47.2
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccccc1Sc1ccccc1
NscNumber: __
Complexity: 236
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccccc1Sc1ccccc1
NscNumber:
__
Complexity:
236
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.8
CatalogNumber: AB44196
ChemicalName: 2-Nitroresorcinol
CasNumber: 601-89-8
MolecularFormula: C6H5NO4
MolecularWeight: 155.1082
MdlNumber: MFCD00007124
Smiles: [O-][N+](=O)c1c(O)cccc1O
NscNumber: 1542
Complexity: 145
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.6
CatalogNumber:
AB44196
ChemicalName:
2-Nitroresorcinol
CasNumber:
601-89-8
MolecularFormula:
C6H5NO4
MolecularWeight:
155.1082
MdlNumber:
MFCD00007124
Smiles:
[O-][N+](=O)c1c(O)cccc1O
NscNumber:
1542
Complexity:
145
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccs1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccs1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__