AA10762
113402-77-0 | 3-Chloro-2-iodo-1,1,1-trifluoropropane
Manufacturer: A2B Chem
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CatalogNumber
AA10762
ChemicalName
3-Chloro-2-iodo-1,1,1-trifluoropropane
CasNumber
113402-77-0
MolecularFormula
C3H3ClF3I
MolecularWeight
258.4086
MdlNumber
MFCD01862016
Smiles
ClCC(C(F)(F)F)I
Complexity
71.4
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.9
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CatalogNumber: AA10762
ChemicalName: 3-Chloro-2-iodo-1,1,1-trifluoropropane
CasNumber: 113402-77-0
MolecularFormula: C3H3ClF3I
MolecularWeight: 258.4086
MdlNumber: MFCD01862016
Smiles: ClCC(C(F)(F)F)I
Complexity: 71.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.9
CatalogNumber:
AA10762
ChemicalName:
3-Chloro-2-iodo-1,1,1-trifluoropropane
CasNumber:
113402-77-0
MolecularFormula:
C3H3ClF3I
MolecularWeight:
258.4086
MdlNumber:
MFCD01862016
Smiles:
ClCC(C(F)(F)F)I
Complexity:
71.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)c1ccc(cc1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)c1ccc(cc1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: OC(=O)CC[C@@H](N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)c1cc(ccc1N)C(=O)O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC[C@@H](N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)c1cc(ccc1N)C(=O)O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCN1C(=O)C=CC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCN1C(=O)C=CC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__