AC02988
887408-81-3 | (3-Nitro-1h-pyrazol-1-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AC02988
ChemicalName
(3-Nitro-1h-pyrazol-1-yl)acetic acid
CasNumber
887408-81-3
MolecularFormula
C5H5N3O4
MolecularWeight
171.1109
MdlNumber
MFCD01622829
Smiles
OC(=O)Cn1ccc(n1)[N+](=O)[O-]
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AC02988
ChemicalName: (3-Nitro-1h-pyrazol-1-yl)acetic acid
CasNumber: 887408-81-3
MolecularFormula: C5H5N3O4
MolecularWeight: 171.1109
MdlNumber: MFCD01622829
Smiles: OC(=O)Cn1ccc(n1)[N+](=O)[O-]
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AC02988
ChemicalName:
(3-Nitro-1h-pyrazol-1-yl)acetic acid
CasNumber:
887408-81-3
MolecularFormula:
C5H5N3O4
MolecularWeight:
171.1109
MdlNumber:
MFCD01622829
Smiles:
OC(=O)Cn1ccc(n1)[N+](=O)[O-]
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)c1n[nH]c(c1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1)c1n[nH]c(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OP(=O)(Oc1ccc(cc1)CSS(=O)(=O)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OP(=O)(Oc1ccc(cc1)CSS(=O)(=O)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCC1CCc2c1ccc(c2)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCC1CCc2c1ccc(c2)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__