AB43880
7345-79-1 | trans-2-Bromocinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AB43880
ChemicalName
trans-2-Bromocinnamic acid
CasNumber
7345-79-1
MolecularFormula
C9H7BrO2
MolecularWeight
227.0547
MdlNumber
MFCD00016836
Smiles
OC(=O)C=Cc1ccccc1Br
NscNumber
407679
Complexity
189
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AB43880
ChemicalName: trans-2-Bromocinnamic acid
CasNumber: 7345-79-1
MolecularFormula: C9H7BrO2
MolecularWeight: 227.0547
MdlNumber: MFCD00016836
Smiles: OC(=O)C=Cc1ccccc1Br
NscNumber: 407679
Complexity: 189
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AB43880
ChemicalName:
trans-2-Bromocinnamic acid
CasNumber:
7345-79-1
MolecularFormula:
C9H7BrO2
MolecularWeight:
227.0547
MdlNumber:
MFCD00016836
Smiles:
OC(=O)C=Cc1ccccc1Br
NscNumber:
407679
Complexity:
189
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrC1CCCCC1=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrC1CCCCC1=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)c1ccccc1o2
NscNumber: __
Complexity: 218
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)c1ccccc1o2
NscNumber:
__
Complexity:
218
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.8
CatalogNumber: AB43883
ChemicalName: 2-Bromo-1-ethanesulfonic acid
CasNumber: 26978-65-4
MolecularFormula: C2H5BrO3S
MolecularWeight: 189.0283
MdlNumber: MFCD08059352
Smiles: BrCCS(=O)(=O)O
NscNumber: __
Complexity: 120
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AB43883
ChemicalName:
2-Bromo-1-ethanesulfonic acid
CasNumber:
26978-65-4
MolecularFormula:
C2H5BrO3S
MolecularWeight:
189.0283
MdlNumber:
MFCD08059352
Smiles:
BrCCS(=O)(=O)O
NscNumber:
__
Complexity:
120
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.1