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16793-90-1 | Benzene, 1-(2-bromoethyl)-2-methyl-
CAS No: 16793-90-1 Catalog No: AG001XOY MDL No:MFCD04117467
Product Description
Catalog Number:
AG001XOY
Chemical Name:
Benzene, 1-(2-bromoethyl)-2-methyl-
CAS Number:
16793-90-1
Molecular Formula:
C9H11Br
Molecular Weight:
199.0876
MDL Number:
MFCD04117467
IUPAC Name:
1-(2-bromoethyl)-2-methylbenzene
InChI:
InChI=1S/C9H11Br/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6-7H2,1H3
InChI Key:
PZXWZXNXBNIAHO-UHFFFAOYSA-N
SMILES:
BrCCc1ccccc1C
Properties
Complexity:
90.7
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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