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1177558-47-2 | BenSTART_RECORD
CAS No: 1177558-47-2 Catalog No: AG000HSB MDL No:
Product Description
Catalog Number:
AG000HSB
Chemical Name:
BenSTART_RECORD
CAS Number:
1177558-47-2
IUPAC Name:
1-bromo-3-(bromomethyl)-2-methoxybenzene
InChI:
InChI=1S/C8H8Br2O/c1-11-8-6(5-9)3-2-4-7(8)10/h2-4H,5H2,1H3
InChI Key:
JMASIRNBPZSWLQ-UHFFFAOYSA-N
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.892g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.959g/mol
Monoisotopic Mass:
277.894g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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