AG79674
6242-99-5 | Ethyl 4-(4-nitrophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AG79674
ChemicalName
Ethyl 4-(4-nitrophenyl)benzoate
CasNumber
6242-99-5
MolecularFormula
C15H13NO4
MolecularWeight
271.268
MdlNumber
MFCD00428166
Smiles
CCOC(=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
Complexity
336
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
4
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CatalogNumber: AG79674
ChemicalName: Ethyl 4-(4-nitrophenyl)benzoate
CasNumber: 6242-99-5
MolecularFormula: C15H13NO4
MolecularWeight: 271.268
MdlNumber: MFCD00428166
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 4
CatalogNumber:
AG79674
ChemicalName:
Ethyl 4-(4-nitrophenyl)benzoate
CasNumber:
6242-99-5
MolecularFormula:
C15H13NO4
MolecularWeight:
271.268
MdlNumber:
MFCD00428166
Smiles:
CCOC(=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCn1c(C)nc2c1cccc2.Cl
Complexity: 172
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCn1c(C)nc2c1cccc2.Cl
Complexity:
172
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8
CatalogNumber: AG79676
ChemicalName: N-BOC-4-bromo-3-methylaniline
CasNumber: 654056-82-3
MolecularFormula: C12H16BrNO2
MolecularWeight: 286.1649
MdlNumber: MFCD21170329
Smiles: O=C(OC(C)(C)C)Nc1ccc(c(c1)C)Br
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 4.2
CatalogNumber:
AG79676
ChemicalName:
N-BOC-4-bromo-3-methylaniline
CasNumber:
654056-82-3
MolecularFormula:
C12H16BrNO2
MolecularWeight:
286.1649
MdlNumber:
MFCD21170329
Smiles:
O=C(OC(C)(C)C)Nc1ccc(c(c1)C)Br
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
4.2
CatalogNumber: AG79677
ChemicalName: 5-Chloro-2-(methoxymethoxy)phenylboronic acid
CasNumber: 609352-56-9
MolecularFormula: C8H10BClO4
MolecularWeight: 216.4266
MdlNumber: MFCD11856012
Smiles: COCOc1ccc(cc1B(O)O)Cl
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AG79677
ChemicalName:
5-Chloro-2-(methoxymethoxy)phenylboronic acid
CasNumber:
609352-56-9
MolecularFormula:
C8H10BClO4
MolecularWeight:
216.4266
MdlNumber:
MFCD11856012
Smiles:
COCOc1ccc(cc1B(O)O)Cl
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
__