AB70180
6960-45-8 | 7-Nitroindole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB70180
ChemicalName
7-Nitroindole-2-carboxylic acid
CasNumber
6960-45-8
MolecularFormula
C9H6N2O4
MolecularWeight
206.1549
MdlNumber
MFCD00044720
Smiles
[O-][N+](=O)c1cccc2c1[nH]c(c2)C(=O)O
NscNumber
69877
Complexity
288
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AB70180
ChemicalName: 7-Nitroindole-2-carboxylic acid
CasNumber: 6960-45-8
MolecularFormula: C9H6N2O4
MolecularWeight: 206.1549
MdlNumber: MFCD00044720
Smiles: [O-][N+](=O)c1cccc2c1[nH]c(c2)C(=O)O
NscNumber: 69877
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB70180
ChemicalName:
7-Nitroindole-2-carboxylic acid
CasNumber:
6960-45-8
MolecularFormula:
C9H6N2O4
MolecularWeight:
206.1549
MdlNumber:
MFCD00044720
Smiles:
[O-][N+](=O)c1cccc2c1[nH]c(c2)C(=O)O
NscNumber:
69877
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: AB70181
ChemicalName: 7-Nitrophthalazin-1(2H)-one
CasNumber: 89898-94-2
MolecularFormula: C8H5N3O3
MolecularWeight: 191.1436
MdlNumber: MFCD11137731
Smiles: [O-][N+](=O)c1ccc2c(c1)c(=O)[nH]nc2
NscNumber: 126696
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
AB70181
ChemicalName:
7-Nitrophthalazin-1(2H)-one
CasNumber:
89898-94-2
MolecularFormula:
C8H5N3O3
MolecularWeight:
191.1436
MdlNumber:
MFCD11137731
Smiles:
[O-][N+](=O)c1ccc2c(c1)c(=O)[nH]nc2
NscNumber:
126696
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCc1ccc2c(c1O)nccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCc1ccc2c(c1O)nccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB70183
ChemicalName: 7-Octyn-1-ol
CasNumber: 871-91-0
MolecularFormula: C8H14O
MolecularWeight: 126.1962
MdlNumber: MFCD01632137
Smiles: OCCCCCCC#C
NscNumber: __
Complexity: 88
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.9
CatalogNumber:
AB70183
ChemicalName:
7-Octyn-1-ol
CasNumber:
871-91-0
MolecularFormula:
C8H14O
MolecularWeight:
126.1962
MdlNumber:
MFCD01632137
Smiles:
OCCCCCCC#C
NscNumber:
__
Complexity:
88
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.9