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20601-22-3 | Naphthalene, 2-bromo-1-methyl-
CAS No: 20601-22-3 Catalog No: AG002AHT MDL No:MFCD10000779
Product Description
Catalog Number:
AG002AHT
Chemical Name:
Naphthalene, 2-bromo-1-methyl-
CAS Number:
20601-22-3
Molecular Formula:
C11H9Br
Molecular Weight:
221.0932
MDL Number:
MFCD10000779
IUPAC Name:
2-bromo-1-methylnaphthalene
InChI:
InChI=1S/C11H9Br/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-7H,1H3
InChI Key:
AEJFBKVIGAYAQV-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1C)cccc2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.989g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.097g/mol
Monoisotopic Mass:
219.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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