AG68079
6307-87-5 | Methyl 3-bromo-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AG68079
ChemicalName
Methyl 3-bromo-5-nitrobenzoate
CasNumber
6307-87-5
MolecularFormula
C8H6BrNO4
MolecularWeight
260.0415
MdlNumber
MFCD09258759
Smiles
COC(=O)c1cc(Br)cc(c1)[N+](=O)[O-]
NscNumber
44296
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AG68079
ChemicalName: Methyl 3-bromo-5-nitrobenzoate
CasNumber: 6307-87-5
MolecularFormula: C8H6BrNO4
MolecularWeight: 260.0415
MdlNumber: MFCD09258759
Smiles: COC(=O)c1cc(Br)cc(c1)[N+](=O)[O-]
NscNumber: 44296
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AG68079
ChemicalName:
Methyl 3-bromo-5-nitrobenzoate
CasNumber:
6307-87-5
MolecularFormula:
C8H6BrNO4
MolecularWeight:
260.0415
MdlNumber:
MFCD09258759
Smiles:
COC(=O)c1cc(Br)cc(c1)[N+](=O)[O-]
NscNumber:
44296
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: AG68080
ChemicalName: 3-Bromo-N-(2-hydroxyethyl)benzamide
CasNumber: 57728-66-2
MolecularFormula: C9H10BrNO2
MolecularWeight: 244.0852
MdlNumber: MFCD01249209
Smiles: OCCNC(=O)c1cccc(c1)Br
NscNumber: __
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AG68080
ChemicalName:
3-Bromo-N-(2-hydroxyethyl)benzamide
CasNumber:
57728-66-2
MolecularFormula:
C9H10BrNO2
MolecularWeight:
244.0852
MdlNumber:
MFCD01249209
Smiles:
OCCNC(=O)c1cccc(c1)Br
NscNumber:
__
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: AG68081
ChemicalName: 2,6-Dichloro-3-methylpyridine
CasNumber: 58584-94-4
MolecularFormula: C6H5Cl2N
MolecularWeight: 162.0166
MdlNumber: MFCD00137847
Smiles: Clc1ccc(c(n1)Cl)C
NscNumber: __
Complexity: 97.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
AG68081
ChemicalName:
2,6-Dichloro-3-methylpyridine
CasNumber:
58584-94-4
MolecularFormula:
C6H5Cl2N
MolecularWeight:
162.0166
MdlNumber:
MFCD00137847
Smiles:
Clc1ccc(c(n1)Cl)C
NscNumber:
__
Complexity:
97.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN(C(=O)c1ccc(cc1)Br)CC
NscNumber: __
Complexity: 184
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(C(=O)c1ccc(cc1)Br)CC
NscNumber:
__
Complexity:
184
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9