AI52243
5456-23-5 | 2-Bromo-2-ethylbutanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI52243
ChemicalName
2-Bromo-2-ethylbutanoic acid
CasNumber
5456-23-5
MolecularFormula
C6H11BrO2
MolecularWeight
195.0543
MdlNumber
MFCD00046512
Smiles
CCC(C(=O)O)(CC)Br
NscNumber
4536
Complexity
108
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AI52243
ChemicalName: 2-Bromo-2-ethylbutanoic acid
CasNumber: 5456-23-5
MolecularFormula: C6H11BrO2
MolecularWeight: 195.0543
MdlNumber: MFCD00046512
Smiles: CCC(C(=O)O)(CC)Br
NscNumber: 4536
Complexity: 108
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AI52243
ChemicalName:
2-Bromo-2-ethylbutanoic acid
CasNumber:
5456-23-5
MolecularFormula:
C6H11BrO2
MolecularWeight:
195.0543
MdlNumber:
MFCD00046512
Smiles:
CCC(C(=O)O)(CC)Br
NscNumber:
4536
Complexity:
108
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: AI52244
ChemicalName: N-(4-Methoxybenzyl)urea
CasNumber: 54582-35-3
MolecularFormula: C9H12N2O2
MolecularWeight: 180.20378
MdlNumber: MFCD01314623
Smiles: COc1ccc(cc1)CNC(=O)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI52244
ChemicalName:
N-(4-Methoxybenzyl)urea
CasNumber:
54582-35-3
MolecularFormula:
C9H12N2O2
MolecularWeight:
180.20378
MdlNumber:
MFCD01314623
Smiles:
COc1ccc(cc1)CNC(=O)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)Oc1ccccc1[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1)Oc1ccccc1[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cccc(c1)CCl
NscNumber: __
Complexity: 170
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cccc(c1)CCl
NscNumber:
__
Complexity:
170
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5