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115333-02-3 | Benzene, (3-bromo-2-methoxypropyl)-
CAS No: 115333-02-3 Catalog No: AG000GMM MDL No:MFCD29034245
Product Description
Catalog Number:
AG000GMM
Chemical Name:
Benzene, (3-bromo-2-methoxypropyl)-
CAS Number:
115333-02-3
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD29034245
IUPAC Name:
(3-bromo-2-methoxypropyl)benzene
InChI:
InChI=1S/C10H13BrO/c1-12-10(8-11)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChI Key:
JUUJOROAHMBPCH-UHFFFAOYSA-N
SMILES:
BrCC(Cc1ccccc1)OC
Properties
Complexity:
110
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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