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1378873-23-4

1378873-23-4 | 1-(bromomethyl)-4-methoxy-2,3-dimethylbenzene

CAS No: 1378873-23-4 Catalog No: AG01ETGN MDL No:

Product Description

Catalog Number:
AG01ETGN
Chemical Name:
1-(bromomethyl)-4-methoxy-2,3-dimethylbenzene
CAS Number:
1378873-23-4
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
IUPAC Name:
1-(bromomethyl)-4-methoxy-2,3-dimethylbenzene
InChI:
InChI=1S/C10H13BrO/c1-7-8(2)10(12-3)5-4-9(7)6-11/h4-5H,6H2,1-3H3
InChI Key:
DCOSMTBHWOZAQP-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C)C)CBr

Properties

Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.117g/mol
Monoisotopic Mass:
228.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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