AB64573
6940-49-4 | 3-Bromophthalide
Manufacturer: A2B Chem
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CatalogNumber
AB64573
ChemicalName
3-Bromophthalide
CasNumber
6940-49-4
MolecularFormula
C8H5BrO2
MolecularWeight
213.0281
MdlNumber
MFCD00040520
Smiles
O=C1OC(c2c1cccc2)Br
NscNumber
60137
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AB64573
ChemicalName: 3-Bromophthalide
CasNumber: 6940-49-4
MolecularFormula: C8H5BrO2
MolecularWeight: 213.0281
MdlNumber: MFCD00040520
Smiles: O=C1OC(c2c1cccc2)Br
NscNumber: 60137
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AB64573
ChemicalName:
3-Bromophthalide
CasNumber:
6940-49-4
MolecularFormula:
C8H5BrO2
MolecularWeight:
213.0281
MdlNumber:
MFCD00040520
Smiles:
O=C1OC(c2c1cccc2)Br
NscNumber:
60137
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
CatalogNumber: AB64574
ChemicalName: Sodium 3-bromopropanesulfonate
CasNumber: 55788-44-8
MolecularFormula: C3H6BrNaO3S
MolecularWeight: 225.0367
MdlNumber: MFCD00024999
Smiles: BrCCCS(=O)(=O)[O-].[Na+]
NscNumber: __
Complexity: 138
Covalently-bondedUnitCount: 2
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB64574
ChemicalName:
Sodium 3-bromopropanesulfonate
CasNumber:
55788-44-8
MolecularFormula:
C3H6BrNaO3S
MolecularWeight:
225.0367
MdlNumber:
MFCD00024999
Smiles:
BrCCCS(=O)(=O)[O-].[Na+]
NscNumber:
__
Complexity:
138
Covalently-bondedUnitCount:
2
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCBr
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCBr
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCCC#N
NscNumber: __
Complexity: 51.2
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCCC#N
NscNumber:
__
Complexity:
51.2
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.7