AB47655
33225-74-0 | 2-nitroisonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB47655
ChemicalName
2-nitroisonicotinic acid
CasNumber
33225-74-0
MolecularFormula
C6H4N2O4
MolecularWeight
168.107
MdlNumber
MFCD04114160
Smiles
[O-][N+](=O)c1nccc(c1)C(=O)O
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AB47655
ChemicalName: 2-nitroisonicotinic acid
CasNumber: 33225-74-0
MolecularFormula: C6H4N2O4
MolecularWeight: 168.107
MdlNumber: MFCD04114160
Smiles: [O-][N+](=O)c1nccc(c1)C(=O)O
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AB47655
ChemicalName:
2-nitroisonicotinic acid
CasNumber:
33225-74-0
MolecularFormula:
C6H4N2O4
MolecularWeight:
168.107
MdlNumber:
MFCD04114160
Smiles:
[O-][N+](=O)c1nccc(c1)C(=O)O
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: AB47656
ChemicalName: 4-Chloro-2-butanone
CasNumber: 6322-49-2
MolecularFormula: C4H7ClO
MolecularWeight: 106.5508
MdlNumber: MFCD00037116
Smiles: CC(=O)CCCl
Complexity: 51.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AB47656
ChemicalName:
4-Chloro-2-butanone
CasNumber:
6322-49-2
MolecularFormula:
C4H7ClO
MolecularWeight:
106.5508
MdlNumber:
MFCD00037116
Smiles:
CC(=O)CCCl
Complexity:
51.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.5
CatalogNumber: AB47657
ChemicalName: 5-Bromo-4-chlorothieno[2,3-d]pyrimidine
CasNumber: 814918-95-1
MolecularFormula: C6H2BrClN2S
MolecularWeight: 249.5155
MdlNumber: MFCD11042739
Smiles: Brc1csc2c1c(Cl)ncn2
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
AB47657
ChemicalName:
5-Bromo-4-chlorothieno[2,3-d]pyrimidine
CasNumber:
814918-95-1
MolecularFormula:
C6H2BrClN2S
MolecularWeight:
249.5155
MdlNumber:
MFCD11042739
Smiles:
Brc1csc2c1c(Cl)ncn2
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(OC)cc2c3c1c1ccccc1cc3NC2=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(OC)cc2c3c1c1ccccc1cc3NC2=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__