AI07286
1079992-97-4 | Methyl 6-fluoro-2-methyl-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI07286
ChemicalName
Methyl 6-fluoro-2-methyl-3-nitrobenzoate
CasNumber
1079992-97-4
MolecularFormula
C9H8FNO4
MolecularWeight
213.1625
MdlNumber
MFCD28347723
Smiles
COC(=O)c1c(F)ccc(c1C)[N+](=O)[O-]
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AI07286
ChemicalName: Methyl 6-fluoro-2-methyl-3-nitrobenzoate
CasNumber: 1079992-97-4
MolecularFormula: C9H8FNO4
MolecularWeight: 213.1625
MdlNumber: MFCD28347723
Smiles: COC(=O)c1c(F)ccc(c1C)[N+](=O)[O-]
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AI07286
ChemicalName:
Methyl 6-fluoro-2-methyl-3-nitrobenzoate
CasNumber:
1079992-97-4
MolecularFormula:
C9H8FNO4
MolecularWeight:
213.1625
MdlNumber:
MFCD28347723
Smiles:
COC(=O)c1c(F)ccc(c1C)[N+](=O)[O-]
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1nc(N)nc(n1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1nc(N)nc(n1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI07288
ChemicalName: L-Tyrosine methyl ester
CasNumber: 1080-06-4
MolecularFormula: C10H13NO3
MolecularWeight: 195.2151
MdlNumber: MFCD00002392
Smiles: COC(=O)C(Cc1ccc(cc1)O)N
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 0.3
CatalogNumber:
AI07288
ChemicalName:
L-Tyrosine methyl ester
CasNumber:
1080-06-4
MolecularFormula:
C10H13NO3
MolecularWeight:
195.2151
MdlNumber:
MFCD00002392
Smiles:
COC(=O)C(Cc1ccc(cc1)O)N
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cnc(s1)C1OCCO1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cnc(s1)C1OCCO1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__