AI41527
1845689-93-1 | Ethyl 4-bromo-5-chloro-2-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI41527
ChemicalName
Ethyl 4-bromo-5-chloro-2-nitrobenzoate
CasNumber
1845689-93-1
MolecularFormula
C9H7BrClNO4
MolecularWeight
308.5132
MdlNumber
MFCD28962796
Smiles
[O-][N+](=O)c1cc(Br)c(cc1C(=O)OCC)Cl
Complexity
283
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.3
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CatalogNumber: AI41527
ChemicalName: Ethyl 4-bromo-5-chloro-2-nitrobenzoate
CasNumber: 1845689-93-1
MolecularFormula: C9H7BrClNO4
MolecularWeight: 308.5132
MdlNumber: MFCD28962796
Smiles: [O-][N+](=O)c1cc(Br)c(cc1C(=O)OCC)Cl
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AI41527
ChemicalName:
Ethyl 4-bromo-5-chloro-2-nitrobenzoate
CasNumber:
1845689-93-1
MolecularFormula:
C9H7BrClNO4
MolecularWeight:
308.5132
MdlNumber:
MFCD28962796
Smiles:
[O-][N+](=O)c1cc(Br)c(cc1C(=O)OCC)Cl
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CCn1cc(c(n1)C(F)(F)F)Br)C
Complexity: 208
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CCn1cc(c(n1)C(F)(F)F)Br)C
Complexity:
208
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5
CatalogNumber: AI41529
ChemicalName: 2,4-Dimethanesulfonylbenzaldehyde
CasNumber: 1845690-57-4
MolecularFormula: C9H10O5S2
MolecularWeight: 262.3027
MdlNumber: MFCD28962763
Smiles: O=Cc1ccc(cc1S(=O)(=O)C)S(=O)(=O)C
Complexity: 451
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AI41529
ChemicalName:
2,4-Dimethanesulfonylbenzaldehyde
CasNumber:
1845690-57-4
MolecularFormula:
C9H10O5S2
MolecularWeight:
262.3027
MdlNumber:
MFCD28962763
Smiles:
O=Cc1ccc(cc1S(=O)(=O)C)S(=O)(=O)C
Complexity:
451
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
-0.1
CatalogNumber: AI41530
ChemicalName: 3-Bromo-6-chloro-N-methylpyridin-2-amine
CasNumber: 1845690-58-5
MolecularFormula: C6H6BrClN2
MolecularWeight: 221.48224
MdlNumber: MFCD28515408
Smiles: CNc1nc(Cl)ccc1Br
Complexity: 112
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AI41530
ChemicalName:
3-Bromo-6-chloro-N-methylpyridin-2-amine
CasNumber:
1845690-58-5
MolecularFormula:
C6H6BrClN2
MolecularWeight:
221.48224
MdlNumber:
MFCD28515408
Smiles:
CNc1nc(Cl)ccc1Br
Complexity:
112
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.8