AB48249
73522-17-5 | (S)-1,2-Butanediol
Manufacturer: A2B Chem
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CatalogNumber
AB48249
ChemicalName
(S)-1,2-Butanediol
CasNumber
73522-17-5
MolecularFormula
C4H10O2
MolecularWeight
90.121
MdlNumber
MFCD09953764
Smiles
CC[C@@H](CO)O
Complexity
28.7
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.2
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CatalogNumber: AB48249
ChemicalName: (S)-1,2-Butanediol
CasNumber: 73522-17-5
MolecularFormula: C4H10O2
MolecularWeight: 90.121
MdlNumber: MFCD09953764
Smiles: CC[C@@H](CO)O
Complexity: 28.7
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.2
CatalogNumber:
AB48249
ChemicalName:
(S)-1,2-Butanediol
CasNumber:
73522-17-5
MolecularFormula:
C4H10O2
MolecularWeight:
90.121
MdlNumber:
MFCD09953764
Smiles:
CC[C@@H](CO)O
Complexity:
28.7
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.2
CatalogNumber: AB48250
ChemicalName: 2-Fluoro-4-(trifluoromethyl)phenol
CasNumber: 77227-78-2
MolecularFormula: C7H4F4O
MolecularWeight: 180.0997
MdlNumber: MFCD00061285
Smiles: Oc1ccc(cc1F)C(F)(F)F
Complexity: 156
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
AB48250
ChemicalName:
2-Fluoro-4-(trifluoromethyl)phenol
CasNumber:
77227-78-2
MolecularFormula:
C7H4F4O
MolecularWeight:
180.0997
MdlNumber:
MFCD00061285
Smiles:
Oc1ccc(cc1F)C(F)(F)F
Complexity:
156
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCC
Complexity: 332
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCC
Complexity:
332
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.6
CatalogNumber: AB48252
ChemicalName: 2-(4-Methoxyphenyl)pyrrolidine
CasNumber: 74190-66-2
MolecularFormula: C11H15NO
MolecularWeight: 177.2429
MdlNumber: MFCD01631836
Smiles: COc1ccc(cc1)C1CCCN1
Complexity: 152
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB48252
ChemicalName:
2-(4-Methoxyphenyl)pyrrolidine
CasNumber:
74190-66-2
MolecularFormula:
C11H15NO
MolecularWeight:
177.2429
MdlNumber:
MFCD01631836
Smiles:
COc1ccc(cc1)C1CCCN1
Complexity:
152
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8