AI54071
63164-16-9 | 2,4-Dibromobutyric acid
Manufacturer: A2B Chem
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CatalogNumber
AI54071
ChemicalName
2,4-Dibromobutyric acid
CasNumber
63164-16-9
MolecularFormula
C4H6Br2O2
MolecularWeight
245.8972
MdlNumber
MFCD01632493
Smiles
OC(=O)C(CCBr)Br
Complexity
84.1
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AI54071
ChemicalName: 2,4-Dibromobutyric acid
CasNumber: 63164-16-9
MolecularFormula: C4H6Br2O2
MolecularWeight: 245.8972
MdlNumber: MFCD01632493
Smiles: OC(=O)C(CCBr)Br
Complexity: 84.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AI54071
ChemicalName:
2,4-Dibromobutyric acid
CasNumber:
63164-16-9
MolecularFormula:
C4H6Br2O2
MolecularWeight:
245.8972
MdlNumber:
MFCD01632493
Smiles:
OC(=O)C(CCBr)Br
Complexity:
84.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: FC(Oc1cc(Br)c(cc1Br)OC(F)(F)F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
FC(Oc1cc(Br)c(cc1Br)OC(F)(F)F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccccc1N1CCCCS1(=O)=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccccc1N1CCCCS1(=O)=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nc2ccccc2c(c1c1ccccc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nc2ccccc2c(c1c1ccccc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__