AB47380
862673-06-1 | 2-Bromo-N-(3,4-dihydroxyphenethyl)propanamide
Manufacturer: A2B Chem
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CatalogNumber
AB47380
ChemicalName
2-Bromo-N-(3,4-dihydroxyphenethyl)propanamide
CasNumber
862673-06-1
MolecularFormula
C11H14BrNO3
MolecularWeight
288.1378
MdlNumber
MFCD30478705
Smiles
O=C(C(Br)C)NCCc1ccc(c(c1)O)O
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
0.5
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CatalogNumber: AB47380
ChemicalName: 2-Bromo-N-(3,4-dihydroxyphenethyl)propanamide
CasNumber: 862673-06-1
MolecularFormula: C11H14BrNO3
MolecularWeight: 288.1378
MdlNumber: MFCD30478705
Smiles: O=C(C(Br)C)NCCc1ccc(c(c1)O)O
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.5
CatalogNumber:
AB47380
ChemicalName:
2-Bromo-N-(3,4-dihydroxyphenethyl)propanamide
CasNumber:
862673-06-1
MolecularFormula:
C11H14BrNO3
MolecularWeight:
288.1378
MdlNumber:
MFCD30478705
Smiles:
O=C(C(Br)C)NCCc1ccc(c(c1)O)O
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.5
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Smiles: FB(F)F.CCOCC
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
FB(F)F.CCOCC
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: CC([C@H]1[C@@H]2C(=O)O[C@H]1[C@@H]1[C@@]3([C@H]2CC[C@@H]3CN1C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC([C@H]1[C@@H]2C(=O)O[C@H]1[C@@H]1[C@@]3([C@H]2CC[C@@H]3CN1C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(C/C=C/C(=O)O)C.Cl
Complexity: 118
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(C/C=C/C(=O)O)C.Cl
Complexity:
118
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__