AB48335
6942-36-5 | Methyl 2-bromo-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB48335
ChemicalName
Methyl 2-bromo-5-nitrobenzoate
CasNumber
6942-36-5
MolecularFormula
C8H6BrNO4
MolecularWeight
260.0415
MdlNumber
MFCD00010867
Smiles
COC(=O)c1cc(ccc1Br)[N+](=O)[O-]
NscNumber
57462
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AB48335
ChemicalName: Methyl 2-bromo-5-nitrobenzoate
CasNumber: 6942-36-5
MolecularFormula: C8H6BrNO4
MolecularWeight: 260.0415
MdlNumber: MFCD00010867
Smiles: COC(=O)c1cc(ccc1Br)[N+](=O)[O-]
NscNumber: 57462
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AB48335
ChemicalName:
Methyl 2-bromo-5-nitrobenzoate
CasNumber:
6942-36-5
MolecularFormula:
C8H6BrNO4
MolecularWeight:
260.0415
MdlNumber:
MFCD00010867
Smiles:
COC(=O)c1cc(ccc1Br)[N+](=O)[O-]
NscNumber:
57462
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AB48336
ChemicalName: 4-Bromomethylphenylboronic acid
CasNumber: 68162-47-0
MolecularFormula: C7H8BBrO2
MolecularWeight: 214.8522
MdlNumber: MFCD01318113
Smiles: BrCc1ccc(cc1)B(O)O
NscNumber: __
Complexity: 113
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB48336
ChemicalName:
4-Bromomethylphenylboronic acid
CasNumber:
68162-47-0
MolecularFormula:
C7H8BBrO2
MolecularWeight:
214.8522
MdlNumber:
MFCD01318113
Smiles:
BrCc1ccc(cc1)B(O)O
NscNumber:
__
Complexity:
113
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AB48337
ChemicalName: 2-Hydroxy-3-methoxybenzonitrile
CasNumber: 6812-16-4
MolecularFormula: C8H7NO2
MolecularWeight: 149.1467
MdlNumber: MFCD02261936
Smiles: COc1cccc(c1O)C#N
NscNumber: __
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AB48337
ChemicalName:
2-Hydroxy-3-methoxybenzonitrile
CasNumber:
6812-16-4
MolecularFormula:
C8H7NO2
MolecularWeight:
149.1467
MdlNumber:
MFCD02261936
Smiles:
COc1cccc(c1O)C#N
NscNumber:
__
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: AB48338
ChemicalName: L-Tryptophan methyl ester, HCl
CasNumber: 7524-52-9
MolecularFormula: C12H15ClN2O2
MolecularWeight: 254.7127
MdlNumber: MFCD00066134
Smiles: COC(=O)[C@H](Cc1c[nH]c2c1cccc2)N.Cl
NscNumber: __
Complexity: 257
Covalently-bondedUnitCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB48338
ChemicalName:
L-Tryptophan methyl ester, HCl
CasNumber:
7524-52-9
MolecularFormula:
C12H15ClN2O2
MolecularWeight:
254.7127
MdlNumber:
MFCD00066134
Smiles:
COC(=O)[C@H](Cc1c[nH]c2c1cccc2)N.Cl
NscNumber:
__
Complexity:
257
Covalently-bondedUnitCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
__