AH58753
858226-43-4 | 2-Cyano-1,3-dihydroindene-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH58753
ChemicalName
2-Cyano-1,3-dihydroindene-2-carboxylic acid
CasNumber
858226-43-4
MolecularFormula
C11H9NO2
MolecularWeight
187.1947
MdlNumber
MFCD21802888
Smiles
N#CC1(Cc2c(C1)cccc2)C(=O)O
Complexity
288
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AH58753
ChemicalName: 2-Cyano-1,3-dihydroindene-2-carboxylic acid
CasNumber: 858226-43-4
MolecularFormula: C11H9NO2
MolecularWeight: 187.1947
MdlNumber: MFCD21802888
Smiles: N#CC1(Cc2c(C1)cccc2)C(=O)O
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AH58753
ChemicalName:
2-Cyano-1,3-dihydroindene-2-carboxylic acid
CasNumber:
858226-43-4
MolecularFormula:
C11H9NO2
MolecularWeight:
187.1947
MdlNumber:
MFCD21802888
Smiles:
N#CC1(Cc2c(C1)cccc2)C(=O)O
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: AH58754
ChemicalName: 2-Amino-3,5-dibromopyrazin-1-ium-1-olate
CasNumber: 84539-09-3
MolecularFormula: C4H3Br2N3O
MolecularWeight: 268.8941
MdlNumber: MFCD25953922
Smiles: Brc1c[n+]([O-])c(c(n1)Br)N
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AH58754
ChemicalName:
2-Amino-3,5-dibromopyrazin-1-ium-1-olate
CasNumber:
84539-09-3
MolecularFormula:
C4H3Br2N3O
MolecularWeight:
268.8941
MdlNumber:
MFCD25953922
Smiles:
Brc1c[n+]([O-])c(c(n1)Br)N
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: AH58755
ChemicalName: 4-Amino-n-isopropyl-n-methylbenzenesulfonamide
CasNumber: 757221-02-6
MolecularFormula: C10H16N2O2S
MolecularWeight: 228.3112
MdlNumber: MFCD06342776
Smiles: CC(N(S(=O)(=O)c1ccc(cc1)N)C)C
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AH58755
ChemicalName:
4-Amino-n-isopropyl-n-methylbenzenesulfonamide
CasNumber:
757221-02-6
MolecularFormula:
C10H16N2O2S
MolecularWeight:
228.3112
MdlNumber:
MFCD06342776
Smiles:
CC(N(S(=O)(=O)c1ccc(cc1)N)C)C
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1S(=O)(=O)N(C)C)N
Complexity: 297
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1S(=O)(=O)N(C)C)N
Complexity:
297
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.4