AB52621
400877-57-8 | Methyl 1-methyl-4-nitro-1h-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB52621
ChemicalName
Methyl 1-methyl-4-nitro-1h-pyrazole-3-carboxylate
CasNumber
400877-57-8
MolecularFormula
C6H7N3O4
MolecularWeight
185.1375
MdlNumber
MFCD19443825
Smiles
COC(=O)c1nn(cc1[N+](=O)[O-])C
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AB52621
ChemicalName: Methyl 1-methyl-4-nitro-1h-pyrazole-3-carboxylate
CasNumber: 400877-57-8
MolecularFormula: C6H7N3O4
MolecularWeight: 185.1375
MdlNumber: MFCD19443825
Smiles: COC(=O)c1nn(cc1[N+](=O)[O-])C
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AB52621
ChemicalName:
Methyl 1-methyl-4-nitro-1h-pyrazole-3-carboxylate
CasNumber:
400877-57-8
MolecularFormula:
C6H7N3O4
MolecularWeight:
185.1375
MdlNumber:
MFCD19443825
Smiles:
COC(=O)c1nn(cc1[N+](=O)[O-])C
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClS(=O)(=O)CC1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
ClS(=O)(=O)CC1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52623
ChemicalName: 4-bromo-2-(bromomethyl)-1-nitrobenzene
CasNumber: 35287-42-4
MolecularFormula: C7H5Br2NO2
MolecularWeight: 294.9281
MdlNumber: MFCD11848689
Smiles: BrCc1cc(Br)ccc1[N+](=O)[O-]
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AB52623
ChemicalName:
4-bromo-2-(bromomethyl)-1-nitrobenzene
CasNumber:
35287-42-4
MolecularFormula:
C7H5Br2NO2
MolecularWeight:
294.9281
MdlNumber:
MFCD11848689
Smiles:
BrCc1cc(Br)ccc1[N+](=O)[O-]
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)c(c(c1)N)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)c(c(c1)N)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__