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7511-72-0 | 4-bromophenyl 3-methylbutanoate
CAS No: 7511-72-0 Catalog No: AG0056L9 MDL No:
Product Description
Catalog Number:
AG0056L9
Chemical Name:
4-bromophenyl 3-methylbutanoate
CAS Number:
7511-72-0
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
IUPAC Name:
(4-bromophenyl) 3-methylbutanoate
InChI:
InChI=1S/C11H13BrO2/c1-8(2)7-11(13)14-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3
InChI Key:
ZRWJPFAXRUIONN-UHFFFAOYSA-N
SMILES:
CC(CC(=O)Oc1ccc(cc1)Br)C
NSC Number:
34211
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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