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1200-03-9 | Benzene, (4-bromobutoxy)-
CAS No: 1200-03-9 Catalog No: AG000Q16 MDL No:MFCD00000262
Product Description
Catalog Number:
AG000Q16
Chemical Name:
Benzene, (4-bromobutoxy)-
CAS Number:
1200-03-9
Molecular Formula:
C10H13BrO
Molecular Weight:
229.1136
MDL Number:
MFCD00000262
IUPAC Name:
4-bromobutoxybenzene
InChI:
InChI=1S/C10H13BrO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChI Key:
QBLISOIWPZSVIK-UHFFFAOYSA-N
SMILES:
BrCCCCOc1ccccc1
EC Number:
214-849-1
NSC Number:
17155
Properties
Complexity:
100
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:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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