AB47409
98475-07-1 | Methyl 2-(bromomethyl)-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB47409
ChemicalName
Methyl 2-(bromomethyl)-3-nitrobenzoate
CasNumber
98475-07-1
MolecularFormula
C9H8BrNO4
MolecularWeight
274.0681
MdlNumber
MFCD04114315
Smiles
COC(=O)c1cccc(c1CBr)[N+](=O)[O-]
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AB47409
ChemicalName: Methyl 2-(bromomethyl)-3-nitrobenzoate
CasNumber: 98475-07-1
MolecularFormula: C9H8BrNO4
MolecularWeight: 274.0681
MdlNumber: MFCD04114315
Smiles: COC(=O)c1cccc(c1CBr)[N+](=O)[O-]
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AB47409
ChemicalName:
Methyl 2-(bromomethyl)-3-nitrobenzoate
CasNumber:
98475-07-1
MolecularFormula:
C9H8BrNO4
MolecularWeight:
274.0681
MdlNumber:
MFCD04114315
Smiles:
COC(=O)c1cccc(c1CBr)[N+](=O)[O-]
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(Cl)c(cc1O)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(Cl)c(cc1O)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1N(CN(CN1O)O)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1N(CN(CN1O)O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB47412
ChemicalName: Dimethyl furan-2,5-dicarboxylate
CasNumber: 4282-32-0
MolecularFormula: C8H8O5
MolecularWeight: 184.1461
MdlNumber: MFCD00092317
Smiles: COC(=O)c1ccc(o1)C(=O)OC
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 1
CatalogNumber:
AB47412
ChemicalName:
Dimethyl furan-2,5-dicarboxylate
CasNumber:
4282-32-0
MolecularFormula:
C8H8O5
MolecularWeight:
184.1461
MdlNumber:
MFCD00092317
Smiles:
COC(=O)c1ccc(o1)C(=O)OC
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
1