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88563-82-0 | Benzene, 1-(1-bromoethyl)-3-methyl-
CAS No: 88563-82-0 Catalog No: AG004DPN MDL No:
Product Description
Catalog Number:
AG004DPN
Chemical Name:
Benzene, 1-(1-bromoethyl)-3-methyl-
CAS Number:
88563-82-0
Molecular Formula:
C9H11Br
Molecular Weight:
199.0876
IUPAC Name:
1-(1-bromoethyl)-3-methylbenzene
InChI:
InChI=1S/C9H11Br/c1-7-4-3-5-9(6-7)8(2)10/h3-6,8H,1-2H3
InChI Key:
ATUPRACSYPXTDF-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(Br)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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