1159977-16-8,MFCD28898405
Catalog No.:AA008VL3

1159977-16-8 | 4-(4-Bromo-1-butyn-1-yl)-α,α-dimethyl-benzeneacetic Acid Methyl Ester

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Technical Information
Catalog Number:
AA008VL3
Chemical Name:
4-(4-Bromo-1-butyn-1-yl)-α,α-dimethyl-benzeneacetic Acid Methyl Ester
CAS Number:
1159977-16-8
Molecular Formula:
C15H17BrO2
Molecular Weight:
309.1983
MDL Number:
MFCD28898405
SMILES:
CC(C)(C1=CC=C(C=C1)C#CCCBr)C(=O)OC
Properties
Computed Properties
 
Complexity:
340  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.1  

Literature
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Additional Info:
SDS
Tags:1159977-16-8 Molecular Formula|1159977-16-8 MDL|1159977-16-8 SMILES|1159977-16-8 4-(4-Bromo-1-butyn-1-yl)-α,α-dimethyl-benzeneacetic Acid Methyl Ester
Catalog No.: AA008VL3
1159977-16-8,MFCD28898405
1159977-16-8 | 4-(4-Bromo-1-butyn-1-yl)-α,α-dimethyl-benzeneacetic Acid Methyl Ester
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA008VL3
Chemical Name: 4-(4-Bromo-1-butyn-1-yl)-α,α-dimethyl-benzeneacetic Acid Methyl Ester
CAS Number: 1159977-16-8
Molecular Formula: C15H17BrO2
Molecular Weight: 309.1983
MDL Number: MFCD28898405
SMILES: CC(C)(C1=CC=C(C=C1)C#CCCBr)C(=O)OC
Properties
Complexity: 340  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.1  
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