AI53551
60827-45-4 | (S)-(+)-3-Chloro-1,2-propanediol
Manufacturer: A2B Chem
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CatalogNumber
AI53551
ChemicalName
(S)-(+)-3-Chloro-1,2-propanediol
CasNumber
60827-45-4
MolecularFormula
C3H7ClO2
MolecularWeight
110.5395
MdlNumber
MFCD00210270
Smiles
OC[C@@H](CCl)O
Complexity
32
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.5
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CatalogNumber: AI53551
ChemicalName: (S)-(+)-3-Chloro-1,2-propanediol
CasNumber: 60827-45-4
MolecularFormula: C3H7ClO2
MolecularWeight: 110.5395
MdlNumber: MFCD00210270
Smiles: OC[C@@H](CCl)O
Complexity: 32
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.5
CatalogNumber:
AI53551
ChemicalName:
(S)-(+)-3-Chloro-1,2-propanediol
CasNumber:
60827-45-4
MolecularFormula:
C3H7ClO2
MolecularWeight:
110.5395
MdlNumber:
MFCD00210270
Smiles:
OC[C@@H](CCl)O
Complexity:
32
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CSc1ccc(cc1[N+](=O)[O-])C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
N#CSc1ccc(cc1[N+](=O)[O-])C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNc1ccc(cc1Cl)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNc1ccc(cc1Cl)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__