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147514-19-0 | Benzene, [(1S)-2-bromo-1-methylethyl]-
CAS No: 147514-19-0 Catalog No: AG001EYI MDL No:
Product Description
Catalog Number:
AG001EYI
Chemical Name:
Benzene, [(1S)-2-bromo-1-methylethyl]-
CAS Number:
147514-19-0
Molecular Formula:
C9H11Br
Molecular Weight:
199.0876
IUPAC Name:
[(2S)-1-bromopropan-2-yl]benzene
InChI:
InChI=1S/C9H11Br/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1
InChI Key:
XJWVCWQKZQENDS-MRVPVSSYSA-N
SMILES:
BrC[C@H](c1ccccc1)C
Properties
Complexity:
84.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
198.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.091g/mol
Monoisotopic Mass:
198.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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