AG16784
55666-41-6 | 2-Nitro-benzoic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AG16784
ChemicalName
2-Nitro-benzoic acid tert-butyl ester
CasNumber
55666-41-6
MolecularFormula
C11H13NO4
MolecularWeight
223.2252
MdlNumber
MFCD06291302
Smiles
O=C(c1ccccc1[N+](=O)[O-])OC(C)(C)C
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AG16784
ChemicalName: 2-Nitro-benzoic acid tert-butyl ester
CasNumber: 55666-41-6
MolecularFormula: C11H13NO4
MolecularWeight: 223.2252
MdlNumber: MFCD06291302
Smiles: O=C(c1ccccc1[N+](=O)[O-])OC(C)(C)C
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AG16784
ChemicalName:
2-Nitro-benzoic acid tert-butyl ester
CasNumber:
55666-41-6
MolecularFormula:
C11H13NO4
MolecularWeight:
223.2252
MdlNumber:
MFCD06291302
Smiles:
O=C(c1ccccc1[N+](=O)[O-])OC(C)(C)C
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=C(C(=O)O)CN1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=C(C(=O)O)CN1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG16786
ChemicalName: 4-(2-Pyridyl)benzoic acid
CasNumber: 4385-62-0
MolecularFormula: C12H9NO2
MolecularWeight: 199.2054
MdlNumber: MFCD01830093
Smiles: OC(=O)c1ccc(cc1)c1ccccn1
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AG16786
ChemicalName:
4-(2-Pyridyl)benzoic acid
CasNumber:
4385-62-0
MolecularFormula:
C12H9NO2
MolecularWeight:
199.2054
MdlNumber:
MFCD01830093
Smiles:
OC(=O)c1ccc(cc1)c1ccccn1
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AG16787
ChemicalName: (4-Cyanophenyl)acetic acid
CasNumber: 5462-71-5
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD06798066
Smiles: N#Cc1ccc(cc1)CC(=O)O
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AG16787
ChemicalName:
(4-Cyanophenyl)acetic acid
CasNumber:
5462-71-5
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD06798066
Smiles:
N#Cc1ccc(cc1)CC(=O)O
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.3