AI50276
4254-29-9 | 2-Indanol
Manufacturer: A2B Chem
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CatalogNumber
AI50276
ChemicalName
2-Indanol
CasNumber
4254-29-9
MolecularFormula
C9H10O
MolecularWeight
134.1751
MdlNumber
MFCD00003800
Smiles
OC1Cc2c(C1)cccc2
NscNumber
17485
Complexity
108
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AI50276
ChemicalName: 2-Indanol
CasNumber: 4254-29-9
MolecularFormula: C9H10O
MolecularWeight: 134.1751
MdlNumber: MFCD00003800
Smiles: OC1Cc2c(C1)cccc2
NscNumber: 17485
Complexity: 108
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AI50276
ChemicalName:
2-Indanol
CasNumber:
4254-29-9
MolecularFormula:
C9H10O
MolecularWeight:
134.1751
MdlNumber:
MFCD00003800
Smiles:
OC1Cc2c(C1)cccc2
NscNumber:
17485
Complexity:
108
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CO[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1C)c1ccccc1.[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CO[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1C)c1ccccc1.[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccccc1NC(=O)c1ccccc1C(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccccc1NC(=O)c1ccccc1C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI50279
ChemicalName: 4-Iodo-N-isopropylbenzamide
CasNumber: 425416-87-1
MolecularFormula: C10H12INO
MolecularWeight: 289.1129
MdlNumber: MFCD02218134
Smiles: CC(NC(=O)c1ccc(cc1)I)C
NscNumber: __
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.6
CatalogNumber:
AI50279
ChemicalName:
4-Iodo-N-isopropylbenzamide
CasNumber:
425416-87-1
MolecularFormula:
C10H12INO
MolecularWeight:
289.1129
MdlNumber:
MFCD02218134
Smiles:
CC(NC(=O)c1ccc(cc1)I)C
NscNumber:
__
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.6