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951893-08-6

951893-08-6 | 2-Bromo-3-(3,5-dimethyl-4-methoxyphenyl)-1-propene

CAS No: 951893-08-6 Catalog No: AG01F029 MDL No:

Product Description

Catalog Number:
AG01F029
Chemical Name:
2-Bromo-3-(3,5-dimethyl-4-methoxyphenyl)-1-propene
CAS Number:
951893-08-6
Molecular Formula:
C12H15BrO
Molecular Weight:
255.1509
IUPAC Name:
5-(2-bromoprop-2-enyl)-2-methoxy-1,3-dimethylbenzene
InChI:
InChI=1S/C12H15BrO/c1-8-5-11(7-10(3)13)6-9(2)12(8)14-4/h5-6H,3,7H2,1-2,4H3
InChI Key:
ULDBZIDWPYGRDT-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)CC(=C)Br

Properties

Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.031g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.155g/mol
Monoisotopic Mass:
254.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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