AB49148
40357-96-8 | 5-Nitrothiophene-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49148
ChemicalName
5-Nitrothiophene-3-carboxylic acid
CasNumber
40357-96-8
MolecularFormula
C5H3NO4S
MolecularWeight
173.1466
MdlNumber
MFCD00052582
Smiles
[O-][N+](=O)c1scc(c1)C(=O)O
Complexity
189
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AB49148
ChemicalName: 5-Nitrothiophene-3-carboxylic acid
CasNumber: 40357-96-8
MolecularFormula: C5H3NO4S
MolecularWeight: 173.1466
MdlNumber: MFCD00052582
Smiles: [O-][N+](=O)c1scc(c1)C(=O)O
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB49148
ChemicalName:
5-Nitrothiophene-3-carboxylic acid
CasNumber:
40357-96-8
MolecularFormula:
C5H3NO4S
MolecularWeight:
173.1466
MdlNumber:
MFCD00052582
Smiles:
[O-][N+](=O)c1scc(c1)C(=O)O
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: AB49149
ChemicalName: 5-Chloro-2-methoxynicotinic acid
CasNumber: 54916-65-3
MolecularFormula: C7H6ClNO3
MolecularWeight: 187.5804
MdlNumber: MFCD08236790
Smiles: COc1ncc(cc1C(=O)O)Cl
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB49149
ChemicalName:
5-Chloro-2-methoxynicotinic acid
CasNumber:
54916-65-3
MolecularFormula:
C7H6ClNO3
MolecularWeight:
187.5804
MdlNumber:
MFCD08236790
Smiles:
COc1ncc(cc1C(=O)O)Cl
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: AB49150
ChemicalName: L-Glutamic acid
CasNumber: 56-86-0
MolecularFormula: C5H9NO4
MolecularWeight: 147.1293
MdlNumber: MFCD08688059
Smiles: OC(=O)CC[C@@H](C(=O)O)N
Complexity: 145
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: -3.7
CatalogNumber:
AB49150
ChemicalName:
L-Glutamic acid
CasNumber:
56-86-0
MolecularFormula:
C5H9NO4
MolecularWeight:
147.1293
MdlNumber:
MFCD08688059
Smiles:
OC(=O)CC[C@@H](C(=O)O)N
Complexity:
145
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
-3.7
CatalogNumber: AB49151
ChemicalName: 2-Bromo-5-hydroxypyridine
CasNumber: 55717-45-8
MolecularFormula: C5H4BrNO
MolecularWeight: 173.9954
MdlNumber: MFCD04114184
Smiles: Brc1ccc(cn1)O
Complexity: 78.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
AB49151
ChemicalName:
2-Bromo-5-hydroxypyridine
CasNumber:
55717-45-8
MolecularFormula:
C5H4BrNO
MolecularWeight:
173.9954
MdlNumber:
MFCD04114184
Smiles:
Brc1ccc(cn1)O
Complexity:
78.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.5