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133842-35-0 | 1-Bromo-4-[(n-propyloxy)methyl]benzene
CAS No: 133842-35-0 Catalog No: AG01ES99 MDL No:
Product Description
Catalog Number:
AG01ES99
Chemical Name:
1-Bromo-4-[(n-propyloxy)methyl]benzene
CAS Number:
133842-35-0
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
IUPAC Name:
1-bromo-4-(propoxymethyl)benzene
InChI:
InChI=1S/C10H13BrO/c1-2-7-12-8-9-3-5-10(11)6-4-9/h3-6H,2,7-8H2,1H3
InChI Key:
PBFROLRVUHEMEA-UHFFFAOYSA-N
SMILES:
CCCOCc1ccc(cc1)Br
Properties
Complexity:
108
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:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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