AB51004
5398-24-3 | 2-Bromobutanamide
Manufacturer: A2B Chem
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CatalogNumber
AB51004
ChemicalName
2-Bromobutanamide
CasNumber
5398-24-3
MolecularFormula
C4H8BrNO
MolecularWeight
166.0164
MdlNumber
MFCD08235148
Smiles
CCC(C(=O)N)Br
NscNumber
4597
Complexity
74.1
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AB51004
ChemicalName: 2-Bromobutanamide
CasNumber: 5398-24-3
MolecularFormula: C4H8BrNO
MolecularWeight: 166.0164
MdlNumber: MFCD08235148
Smiles: CCC(C(=O)N)Br
NscNumber: 4597
Complexity: 74.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AB51004
ChemicalName:
2-Bromobutanamide
CasNumber:
5398-24-3
MolecularFormula:
C4H8BrNO
MolecularWeight:
166.0164
MdlNumber:
MFCD08235148
Smiles:
CCC(C(=O)N)Br
NscNumber:
4597
Complexity:
74.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@@H](C[C@@H]1O)n1cnc2c1NC=NC[C@H]2O
NscNumber: __
Complexity: 356
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H](C[C@@H]1O)n1cnc2c1NC=NC[C@H]2O
NscNumber:
__
Complexity:
356
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=N)SCc1ccccc1.Cl
NscNumber: __
Complexity: 130
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=N)SCc1ccccc1.Cl
NscNumber:
__
Complexity:
130
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB51009
ChemicalName: 2-[2-(2-Chloroethoxy)ethoxy]ethanol
CasNumber: 5197-62-6
MolecularFormula: C6H13ClO3
MolecularWeight: 168.6186
MdlNumber: MFCD00002874
Smiles: OCCOCCOCCCl
NscNumber: 2636
Complexity: 61
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 7
UndefinedAtomStereocenterCount: __
Xlogp3: -0.3
CatalogNumber:
AB51009
ChemicalName:
2-[2-(2-Chloroethoxy)ethoxy]ethanol
CasNumber:
5197-62-6
MolecularFormula:
C6H13ClO3
MolecularWeight:
168.6186
MdlNumber:
MFCD00002874
Smiles:
OCCOCCOCCCl
NscNumber:
2636
Complexity:
61
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.3