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20965-27-9 | Heptanenitrile, 7-bromo-
CAS No: 20965-27-9 Catalog No: AG002KC9 MDL No:MFCD00001982
Product Description
Catalog Number:
AG002KC9
Chemical Name:
Heptanenitrile, 7-bromo-
CAS Number:
20965-27-9
Molecular Formula:
C7H12BrN
Molecular Weight:
190.0809
MDL Number:
MFCD00001982
IUPAC Name:
7-bromoheptanenitrile
InChI:
InChI=1S/C7H12BrN/c8-6-4-2-1-3-5-7-9/h1-6H2
InChI Key:
HVVQSKCGHAPHMV-UHFFFAOYSA-N
SMILES:
BrCCCCCCC#N
EC Number:
244-128-7
NSC Number:
60131
Properties
Complexity:
92.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.015g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.084g/mol
Monoisotopic Mass:
189.015g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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