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142-94-9 | Octadecanoic acid, 2-bromo-
CAS No: 142-94-9 Catalog No: AG001HJ4 MDL No:MFCD00021694
Product Description
Catalog Number:
AG001HJ4
Chemical Name:
Octadecanoic acid, 2-bromo-
CAS Number:
142-94-9
Molecular Formula:
C18H35BrO2
Molecular Weight:
363.3733
MDL Number:
MFCD00021694
IUPAC Name:
2-bromooctadecanoic acid
InChI:
InChI=1S/C18H35BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16H2,1H3,(H,20,21)
InChI Key:
KRBFFJIZAKABSA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(C(=O)O)Br
EC Number:
205-573-2
NSC Number:
58376
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.182g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.38g/mol
Monoisotopic Mass:
362.182g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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