AD76709
109069-75-2 | 4-Chloro-2-methoxy-5-nitro-benzoic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD76709
ChemicalName
4-Chloro-2-methoxy-5-nitro-benzoic acid methyl ester
CasNumber
109069-75-2
MolecularFormula
C9H8ClNO5
MolecularWeight
245.6165
MdlNumber
MFCD10574787
Smiles
COC(=O)c1cc([N+](=O)[O-])c(cc1OC)Cl
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AD76709
ChemicalName: 4-Chloro-2-methoxy-5-nitro-benzoic acid methyl ester
CasNumber: 109069-75-2
MolecularFormula: C9H8ClNO5
MolecularWeight: 245.6165
MdlNumber: MFCD10574787
Smiles: COC(=O)c1cc([N+](=O)[O-])c(cc1OC)Cl
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AD76709
ChemicalName:
4-Chloro-2-methoxy-5-nitro-benzoic acid methyl ester
CasNumber:
109069-75-2
MolecularFormula:
C9H8ClNO5
MolecularWeight:
245.6165
MdlNumber:
MFCD10574787
Smiles:
COC(=O)c1cc([N+](=O)[O-])c(cc1OC)Cl
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC[C@H](CC(=O)OC)O
Complexity: 101
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCC[C@H](CC(=O)OC)O
Complexity:
101
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCC(=O)N)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CN)CC(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCC(=O)N)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CN)CC(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cncc(c1)C(=O)N1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cncc(c1)C(=O)N1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__