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Home > Bromides > 1184376-39-3
1184376-39-3 | 1-(3-Bromophenyl)butan-2-one
CAS No: 1184376-39-3 Catalog No: AG01EQX8 MDL No:
Product Description
Catalog Number:
AG01EQX8
Chemical Name:
1-(3-Bromophenyl)butan-2-one
CAS Number:
1184376-39-3
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
IUPAC Name:
1-(3-bromophenyl)butan-2-one
InChI:
InChI=1S/C10H11BrO/c1-2-10(12)7-8-4-3-5-9(11)6-8/h3-6H,2,7H2,1H3
InChI Key:
CNGCZUWLRVVJFR-UHFFFAOYSA-N
SMILES:
CCC(=O)Cc1cccc(c1)Br
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.101g/mol
Monoisotopic Mass:
225.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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