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210587-74-9 | 1-(bromomethyl)-2-(2-methylpropyl)benzene
CAS No: 210587-74-9 Catalog No: AG01ELY7 MDL No:MFCD31430603
Product Description
Catalog Number:
AG01ELY7
Chemical Name:
1-(bromomethyl)-2-(2-methylpropyl)benzene
CAS Number:
210587-74-9
Molecular Formula:
C11H15Br
Molecular Weight:
227.1408
MDL Number:
MFCD31430603
IUPAC Name:
1-(bromomethyl)-2-(2-methylpropyl)benzene
InChI:
InChI=1S/C11H15Br/c1-9(2)7-10-5-3-4-6-11(10)8-12/h3-6,9H,7-8H2,1-2H3
InChI Key:
ZRKVSNMWWWCXCZ-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1CC(C)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.145g/mol
Monoisotopic Mass:
226.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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