AA07494
1019115-11-7 | 4-(Benzyloxy)-3-methoxy-2-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA07494
ChemicalName
4-(Benzyloxy)-3-methoxy-2-nitrobenzonitrile
CasNumber
1019115-11-7
MolecularFormula
C15H12N2O4
MolecularWeight
284.2668
MdlNumber
MFCD09965535
Smiles
COc1c(OCc2ccccc2)ccc(c1[N+](=O)[O-])C#N
Complexity
394
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
2.9
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CatalogNumber: AA07494
ChemicalName: 4-(Benzyloxy)-3-methoxy-2-nitrobenzonitrile
CasNumber: 1019115-11-7
MolecularFormula: C15H12N2O4
MolecularWeight: 284.2668
MdlNumber: MFCD09965535
Smiles: COc1c(OCc2ccccc2)ccc(c1[N+](=O)[O-])C#N
Complexity: 394
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AA07494
ChemicalName:
4-(Benzyloxy)-3-methoxy-2-nitrobenzonitrile
CasNumber:
1019115-11-7
MolecularFormula:
C15H12N2O4
MolecularWeight:
284.2668
MdlNumber:
MFCD09965535
Smiles:
COc1c(OCc2ccccc2)ccc(c1[N+](=O)[O-])C#N
Complexity:
394
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC(C(=O)c1ccc(cc1)Cl)c1ccc(cc1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC(C(=O)c1ccc(cc1)Cl)c1ccc(cc1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA07497
ChemicalName: 2,5-Dibromo-benzothiazole
CasNumber: 1019111-64-8
MolecularFormula: C7H3Br2NS
MolecularWeight: 292.9784
MdlNumber: MFCD09749228
Smiles: Brc1ccc2c(c1)nc(s2)Br
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
AA07497
ChemicalName:
2,5-Dibromo-benzothiazole
CasNumber:
1019111-64-8
MolecularFormula:
C7H3Br2NS
MolecularWeight:
292.9784
MdlNumber:
MFCD09749228
Smiles:
Brc1ccc2c(c1)nc(s2)Br
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
4.1
CatalogNumber: AA07498
ChemicalName: 2-Bromo-5-isopropyl-1,3,4-thiadiazole
CasNumber: 1019111-62-6
MolecularFormula: C5H7BrN2S
MolecularWeight: 207.0915
MdlNumber: MFCD09965539
Smiles: CC(c1nnc(s1)Br)C
Complexity: 99
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AA07498
ChemicalName:
2-Bromo-5-isopropyl-1,3,4-thiadiazole
CasNumber:
1019111-62-6
MolecularFormula:
C5H7BrN2S
MolecularWeight:
207.0915
MdlNumber:
MFCD09965539
Smiles:
CC(c1nnc(s1)Br)C
Complexity:
99
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.6