Home Halogens 1-(3-bromo-2-methoxypropyl)-4-fluorobenzene

1-(3-bromo-2-methoxypropyl)-4-fluorobenzene

CAS No.:
6589-33-9
Catalog Number:
AG01BUZ5
Molecular Formula:
C10H12BrFO
Molecular Weight:
247.1041
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Product Description
Catalog Number:
AG01BUZ5
Chemical Name:
1-(3-bromo-2-methoxypropyl)-4-fluorobenzene
CAS Number:
6589-33-9
Molecular Formula:
C10H12BrFO
Molecular Weight:
247.1041
MDL Number:
MFCD30476204
IUPAC Name:
1-(3-bromo-2-methoxypropyl)-4-fluorobenzene
InChI:
InChI=1S/C10H12BrFO/c1-13-10(7-11)6-8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3
InChI Key:
NPNIAXSAEFMJGM-UHFFFAOYSA-N
SMILES:
BrCC(Cc1ccc(cc1)F)OC
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.006g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.107g/mol
Monoisotopic Mass:
246.006g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties