AB00800
17831-70-8 | 3-Chloro-2,2-bis(chloromethyl)propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB00800
ChemicalName
3-Chloro-2,2-bis(chloromethyl)propionic acid
CasNumber
17831-70-8
MolecularFormula
C5H7Cl3O2
MolecularWeight
205.4669
MdlNumber
MFCD00021685
Smiles
ClCC(C(=O)O)(CCl)CCl
NscNumber
89302
Complexity
114
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.4
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CatalogNumber: AB00800
ChemicalName: 3-Chloro-2,2-bis(chloromethyl)propionic acid
CasNumber: 17831-70-8
MolecularFormula: C5H7Cl3O2
MolecularWeight: 205.4669
MdlNumber: MFCD00021685
Smiles: ClCC(C(=O)O)(CCl)CCl
NscNumber: 89302
Complexity: 114
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AB00800
ChemicalName:
3-Chloro-2,2-bis(chloromethyl)propionic acid
CasNumber:
17831-70-8
MolecularFormula:
C5H7Cl3O2
MolecularWeight:
205.4669
MdlNumber:
MFCD00021685
Smiles:
ClCC(C(=O)O)(CCl)CCl
NscNumber:
89302
Complexity:
114
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cc1)C(C)(C)C)Oc1cccc(c1)OC(=O)c1ccc(cc1)C(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(c1ccc(cc1)C(C)(C)C)Oc1cccc(c1)OC(=O)c1ccc(cc1)C(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]S(=O)(=O)[O-].[Mg+2].O.O.O.O.O.O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]S(=O)(=O)[O-].[Mg+2].O.O.O.O.O.O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C[C@H](C(=O)O)N
NscNumber: __
Complexity: 133
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C[C@H](C(=O)O)N
NscNumber:
__
Complexity:
133
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-2.8