AA31786
1257664-91-7 | N-Isopropyl 4-bromo-2-methoxybenzamide
Manufacturer: A2B Chem
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CatalogNumber
AA31786
ChemicalName
N-Isopropyl 4-bromo-2-methoxybenzamide
CasNumber
1257664-91-7
MolecularFormula
C11H14BrNO2
MolecularWeight
272.1384
MdlNumber
MFCD18087703
Smiles
COc1cc(Br)ccc1C(=O)NC(C)C
Complexity
221
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AA31786
ChemicalName: N-Isopropyl 4-bromo-2-methoxybenzamide
CasNumber: 1257664-91-7
MolecularFormula: C11H14BrNO2
MolecularWeight: 272.1384
MdlNumber: MFCD18087703
Smiles: COc1cc(Br)ccc1C(=O)NC(C)C
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA31786
ChemicalName:
N-Isopropyl 4-bromo-2-methoxybenzamide
CasNumber:
1257664-91-7
MolecularFormula:
C11H14BrNO2
MolecularWeight:
272.1384
MdlNumber:
MFCD18087703
Smiles:
COc1cc(Br)ccc1C(=O)NC(C)C
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: AA31787
ChemicalName: 1-(4-Bromo-3-trifluoromethylphenyl)piperidin-2-one
CasNumber: 1257664-90-6
MolecularFormula: C12H11BrF3NO
MolecularWeight: 322.121
MdlNumber: MFCD04037069
Smiles: O=C1CCCCN1c1ccc(c(c1)C(F)(F)F)Br
Complexity: 321
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AA31787
ChemicalName:
1-(4-Bromo-3-trifluoromethylphenyl)piperidin-2-one
CasNumber:
1257664-90-6
MolecularFormula:
C12H11BrF3NO
MolecularWeight:
322.121
MdlNumber:
MFCD04037069
Smiles:
O=C1CCCCN1c1ccc(c(c1)C(F)(F)F)Br
Complexity:
321
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=CC=C2)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=CC=C2)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__