AE62421
1393441-88-7 | Methyl 2-(5-bromo-4-chloro-2-nitrophenyl)-2-cyanoacetate
Manufacturer: A2B Chem
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CatalogNumber
AE62421
ChemicalName
Methyl 2-(5-bromo-4-chloro-2-nitrophenyl)-2-cyanoacetate
CasNumber
1393441-88-7
MolecularFormula
C10H6BrClN2O4
MolecularWeight
333.5226
MdlNumber
MFCD22383656
Smiles
N#CC(c1cc(Br)c(cc1[N+](=O)[O-])Cl)C(=O)OC
Complexity
391
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.8
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CatalogNumber: AE62421
ChemicalName: Methyl 2-(5-bromo-4-chloro-2-nitrophenyl)-2-cyanoacetate
CasNumber: 1393441-88-7
MolecularFormula: C10H6BrClN2O4
MolecularWeight: 333.5226
MdlNumber: MFCD22383656
Smiles: N#CC(c1cc(Br)c(cc1[N+](=O)[O-])Cl)C(=O)OC
Complexity: 391
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.8
CatalogNumber:
AE62421
ChemicalName:
Methyl 2-(5-bromo-4-chloro-2-nitrophenyl)-2-cyanoacetate
CasNumber:
1393441-88-7
MolecularFormula:
C10H6BrClN2O4
MolecularWeight:
333.5226
MdlNumber:
MFCD22383656
Smiles:
N#CC(c1cc(Br)c(cc1[N+](=O)[O-])Cl)C(=O)OC
Complexity:
391
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.8
CatalogNumber: AE62422
ChemicalName: 2-(Benzyloxy)-5-bromobenzaldehyde, dimethyl acetal
CasNumber: 1355247-00-5
MolecularFormula: C16H17BrO3
MolecularWeight: 337.2084
MdlNumber: MFCD21333084
Smiles: COC(c1cc(Br)ccc1OCc1ccccc1)OC
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
RotatableBondCount: 6
UndefinedAtomStereocenterCount: __
Xlogp3: 3.7
CatalogNumber:
AE62422
ChemicalName:
2-(Benzyloxy)-5-bromobenzaldehyde, dimethyl acetal
CasNumber:
1355247-00-5
MolecularFormula:
C16H17BrO3
MolecularWeight:
337.2084
MdlNumber:
MFCD21333084
Smiles:
COC(c1cc(Br)ccc1OCc1ccccc1)OC
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(Br)c2c(c1)nc(n2C)C
Complexity: 287
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(Br)c2c(c1)nc(n2C)C
Complexity:
287
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(Br)c2c(c1)ncn2CC
Complexity: 275
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(Br)c2c(c1)ncn2CC
Complexity:
275
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.3