AB45350
6317-37-9 | 5-Nitro-2-thiophenecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB45350
ChemicalName
5-Nitro-2-thiophenecarboxylic acid
CasNumber
6317-37-9
MolecularFormula
C5H3NO4S
MolecularWeight
173.1466
MdlNumber
MFCD00159552
Smiles
OC(=O)c1ccc(s1)[N+](=O)[O-]
NscNumber
41707
Complexity
189
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.6
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CatalogNumber: AB45350
ChemicalName: 5-Nitro-2-thiophenecarboxylic acid
CasNumber: 6317-37-9
MolecularFormula: C5H3NO4S
MolecularWeight: 173.1466
MdlNumber: MFCD00159552
Smiles: OC(=O)c1ccc(s1)[N+](=O)[O-]
NscNumber: 41707
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AB45350
ChemicalName:
5-Nitro-2-thiophenecarboxylic acid
CasNumber:
6317-37-9
MolecularFormula:
C5H3NO4S
MolecularWeight:
173.1466
MdlNumber:
MFCD00159552
Smiles:
OC(=O)c1ccc(s1)[N+](=O)[O-]
NscNumber:
41707
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: AB45351
ChemicalName: 5-Nitrouracil
CasNumber: 611-08-5
MolecularFormula: C4H3N3O4
MolecularWeight: 157.0843
MdlNumber: MFCD00006021
Smiles: [O-][N+](=O)c1c[nH]c(=O)[nH]c1=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB45351
ChemicalName:
5-Nitrouracil
CasNumber:
611-08-5
MolecularFormula:
C4H3N3O4
MolecularWeight:
157.0843
MdlNumber:
MFCD00006021
Smiles:
[O-][N+](=O)c1c[nH]c(=O)[nH]c1=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB45352
ChemicalName: 5-Pyrimidineacetic acid
CasNumber: 5267-07-2
MolecularFormula: C6H6N2O2
MolecularWeight: 138.12404
MdlNumber: MFCD09608122
Smiles: OC(=O)Cc1cncnc1
NscNumber: __
Complexity: 121
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AB45352
ChemicalName:
5-Pyrimidineacetic acid
CasNumber:
5267-07-2
MolecularFormula:
C6H6N2O2
MolecularWeight:
138.12404
MdlNumber:
MFCD09608122
Smiles:
OC(=O)Cc1cncnc1
NscNumber:
__
Complexity:
121
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1cncnc1)O
NscNumber: __
Complexity: 84.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1cncnc1)O
NscNumber:
__
Complexity:
84.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__