AD58327
212471-40-4 | 3-Iodopyrazine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD58327
ChemicalName
3-Iodopyrazine-2-carboxylic acid
CasNumber
212471-40-4
MolecularFormula
C5H3IN2O2
MolecularWeight
249.994
MdlNumber
MFCD13193281
Smiles
OC(=O)c1nccnc1I
Complexity
142
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.3
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CatalogNumber: AD58327
ChemicalName: 3-Iodopyrazine-2-carboxylic acid
CasNumber: 212471-40-4
MolecularFormula: C5H3IN2O2
MolecularWeight: 249.994
MdlNumber: MFCD13193281
Smiles: OC(=O)c1nccnc1I
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.3
CatalogNumber:
AD58327
ChemicalName:
3-Iodopyrazine-2-carboxylic acid
CasNumber:
212471-40-4
MolecularFormula:
C5H3IN2O2
MolecularWeight:
249.994
MdlNumber:
MFCD13193281
Smiles:
OC(=O)c1nccnc1I
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=CCC/C(=C/CC/C(=C/CC1=C(C)C(=O)c2c(C1=O)cccc2)/C)/C)CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=CCC/C(=C/CC/C(=C/CC1=C(C)C(=O)c2c(C1=O)cccc2)/C)/C)CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD58329
ChemicalName: 2,4-Dimethyl-5-nitroaniline
CasNumber: 2124-47-2
MolecularFormula: C8H10N2O2
MolecularWeight: 166.1772
MdlNumber: MFCD00025199
Smiles: [O-][N+](=O)c1cc(N)c(cc1C)C
Complexity: 178
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
AD58329
ChemicalName:
2,4-Dimethyl-5-nitroaniline
CasNumber:
2124-47-2
MolecularFormula:
C8H10N2O2
MolecularWeight:
166.1772
MdlNumber:
MFCD00025199
Smiles:
[O-][N+](=O)c1cc(N)c(cc1C)C
Complexity:
178
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOc1ccc(cc1)CN
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOc1ccc(cc1)CN
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__