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Home > Bromides > 1467467-58-8
1467467-58-8 | 4-bromo-2-methylpentanenitrile
CAS No: 1467467-58-8 Catalog No: AG01ANGY MDL No:MFCD21184660
Product Description
Catalog Number:
AG01ANGY
Chemical Name:
4-bromo-2-methylpentanenitrile
CAS Number:
1467467-58-8
Molecular Formula:
C6H10BrN
Molecular Weight:
176.0543
MDL Number:
MFCD21184660
IUPAC Name:
4-bromo-2-methylpentanenitrile
InChI:
InChI=1S/C6H10BrN/c1-5(4-8)3-6(2)7/h5-6H,3H2,1-2H3
InChI Key:
TZQHOJUXAFVMRD-UHFFFAOYSA-N
SMILES:
CC(C#N)CC(Br)C
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.057g/mol
Monoisotopic Mass:
175g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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