AI39240
177409-38-0 | Methyl 1-methyl-3-nitro-1h-pyrazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI39240
ChemicalName
Methyl 1-methyl-3-nitro-1h-pyrazole-5-carboxylate
CasNumber
177409-38-0
MolecularFormula
C6H7N3O4
MolecularWeight
185.13747999999998
MdlNumber
MFCD18262309
Smiles
[O-][N+](=O)c1cc(n(n1)C)C(=O)OC
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
0.6
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CatalogNumber: AI39240
ChemicalName: Methyl 1-methyl-3-nitro-1h-pyrazole-5-carboxylate
CasNumber: 177409-38-0
MolecularFormula: C6H7N3O4
MolecularWeight: 185.13747999999998
MdlNumber: MFCD18262309
Smiles: [O-][N+](=O)c1cc(n(n1)C)C(=O)OC
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AI39240
ChemicalName:
Methyl 1-methyl-3-nitro-1h-pyrazole-5-carboxylate
CasNumber:
177409-38-0
MolecularFormula:
C6H7N3O4
MolecularWeight:
185.13747999999998
MdlNumber:
MFCD18262309
Smiles:
[O-][N+](=O)c1cc(n(n1)C)C(=O)OC
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCCCCC=C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCCCCC=C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cn2c(n1)CCC(C2)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cn2c(n1)CCC(C2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI39243
ChemicalName: 3-Bromo-4-fluoro-5-nitrotoluene
CasNumber: 1774898-10-0
MolecularFormula: C7H5BrFNO2
MolecularWeight: 234.02250319999996
MdlNumber: MFCD26792617
Smiles: Cc1cc(Br)c(c(c1)[N+](=O)[O-])F
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
AI39243
ChemicalName:
3-Bromo-4-fluoro-5-nitrotoluene
CasNumber:
1774898-10-0
MolecularFormula:
C7H5BrFNO2
MolecularWeight:
234.02250319999996
MdlNumber:
MFCD26792617
Smiles:
Cc1cc(Br)c(c(c1)[N+](=O)[O-])F
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
2.9