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544467-01-8 | 1-[3,5-bis(bromomethyl)phenyl]-ethanone
CAS No: 544467-01-8 Catalog No: AG01EWET MDL No:
Product Description
Catalog Number:
AG01EWET
Chemical Name:
1-[3,5-bis(bromomethyl)phenyl]-ethanone
CAS Number:
544467-01-8
Molecular Formula:
C10H10Br2O
Molecular Weight:
305.9938
IUPAC Name:
1-[3,5-bis(bromomethyl)phenyl]ethanone
InChI:
InChI=1S/C10H10Br2O/c1-7(13)10-3-8(5-11)2-9(4-10)6-12/h2-4H,5-6H2,1H3
InChI Key:
JLOMZJVCASLRBQ-UHFFFAOYSA-N
SMILES:
BrCc1cc(CBr)cc(c1)C(=O)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.908g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.997g/mol
Monoisotopic Mass:
303.91g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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