AA73797
148625-35-8 | Methyl 3-formyl-4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA73797
ChemicalName
Methyl 3-formyl-4-nitrobenzoate
CasNumber
148625-35-8
MolecularFormula
C9H7NO5
MolecularWeight
209.1556
MdlNumber
MFCD05664271
Smiles
COC(=O)c1ccc(c(c1)C=O)[N+](=O)[O-]
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AA73797
ChemicalName: Methyl 3-formyl-4-nitrobenzoate
CasNumber: 148625-35-8
MolecularFormula: C9H7NO5
MolecularWeight: 209.1556
MdlNumber: MFCD05664271
Smiles: COC(=O)c1ccc(c(c1)C=O)[N+](=O)[O-]
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AA73797
ChemicalName:
Methyl 3-formyl-4-nitrobenzoate
CasNumber:
148625-35-8
MolecularFormula:
C9H7NO5
MolecularWeight:
209.1556
MdlNumber:
MFCD05664271
Smiles:
COC(=O)c1ccc(c(c1)C=O)[N+](=O)[O-]
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@@H]([C@H]1NC(=O)[C@H](NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N(C1=O)C)C)C)CC(C)C)CC(C)C)C)[C@@H](C(C)C)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@@H]([C@H]1NC(=O)[C@H](NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N(C1=O)C)C)C)CC(C)C)CC(C)C)C)[C@@H](C(C)C)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](c1ccnc2c1cc(OC)cc2)Oc1nnc(c2c1cccc2)O[C@H](c1ccnc2c1cc(OC)cc2)[C@H]1C[C@@H]2CCN1C[C@@H]2CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](c1ccnc2c1cc(OC)cc2)Oc1nnc(c2c1cccc2)O[C@H](c1ccnc2c1cc(OC)cc2)[C@H]1C[C@@H]2CCN1C[C@@H]2CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCS[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCS[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__