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13685-00-2 | Benzene, (2-bromo-1-methoxyethyl)-
CAS No: 13685-00-2 Catalog No: AG0012H7 MDL No:MFCD09952414
Product Description
Catalog Number:
AG0012H7
Chemical Name:
Benzene, (2-bromo-1-methoxyethyl)-
CAS Number:
13685-00-2
Molecular Formula:
C9H11BrO
Molecular Weight:
215.0870
MDL Number:
MFCD09952414
IUPAC Name:
(2-bromo-1-methoxyethyl)benzene
InChI:
InChI=1S/C9H11BrO/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChI Key:
XLUICHSZBNGJHF-UHFFFAOYSA-N
SMILES:
BrCC(c1ccccc1)OC
EC Number:
237-200-4
NSC Number:
155563
Properties
Complexity:
99.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.09g/mol
Monoisotopic Mass:
213.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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