AI39762
1805600-33-2 | Ethyl 4-bromo-5-methyl-2-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI39762
ChemicalName
Ethyl 4-bromo-5-methyl-2-nitrobenzoate
CasNumber
1805600-33-2
MolecularFormula
C10H10BrNO4
MolecularWeight
288.0947
MdlNumber
MFCD28143922
Smiles
[O-][N+](=O)c1cc(Br)c(cc1C(=O)OCC)C
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3
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CatalogNumber: AI39762
ChemicalName: Ethyl 4-bromo-5-methyl-2-nitrobenzoate
CasNumber: 1805600-33-2
MolecularFormula: C10H10BrNO4
MolecularWeight: 288.0947
MdlNumber: MFCD28143922
Smiles: [O-][N+](=O)c1cc(Br)c(cc1C(=O)OCC)C
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AI39762
ChemicalName:
Ethyl 4-bromo-5-methyl-2-nitrobenzoate
CasNumber:
1805600-33-2
MolecularFormula:
C10H10BrNO4
MolecularWeight:
288.0947
MdlNumber:
MFCD28143922
Smiles:
[O-][N+](=O)c1cc(Br)c(cc1C(=O)OCC)C
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1F)F)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c(c1F)F)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1nccc(c1Cl)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1nccc(c1Cl)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cc(cc(c1F)Cl)[N+](=O)[O-]
Complexity: 186
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cc(cc(c1F)Cl)[N+](=O)[O-]
Complexity:
186
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1