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13099-35-9 | Heptadecanoic acid, 17-bromo-
CAS No: 13099-35-9 Catalog No: AG000V7S MDL No:MFCD00040782
Product Description
Catalog Number:
AG000V7S
Chemical Name:
Heptadecanoic acid, 17-bromo-
CAS Number:
13099-35-9
Molecular Formula:
C17H33BrO2
Molecular Weight:
349.3467
MDL Number:
MFCD00040782
IUPAC Name:
17-bromoheptadecanoic acid
InChI:
InChI=1S/C17H33BrO2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h1-16H2,(H,19,20)
InChI Key:
GABSTWMSOFZKEJ-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCCCCCCCCCC(=O)O
EC Number:
236-017-7
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.166g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.353g/mol
Monoisotopic Mass:
348.166g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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