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87974-13-8 | Benzene, [(4-bromo-3-methylbutoxy)methyl]-
CAS No: 87974-13-8 Catalog No: AG004LWX MDL No:MFCD31422397
Product Description
Catalog Number:
AG004LWX
Chemical Name:
Benzene, [(4-bromo-3-methylbutoxy)methyl]-
CAS Number:
87974-13-8
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
MDL Number:
MFCD31422397
IUPAC Name:
(4-bromo-3-methylbutoxy)methylbenzene
InChI:
InChI=1S/C12H17BrO/c1-11(9-13)7-8-14-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChI Key:
JBUXPZQPAZDINP-UHFFFAOYSA-N
SMILES:
BrCC(CCOCc1ccccc1)C
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.171g/mol
Monoisotopic Mass:
256.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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