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101324-10-1 | 2-Heptenenitrile, 7-bromo-2-methoxy-, (Z)- (9CI)
CAS No: 101324-10-1 Catalog No: AG00047P MDL No:
Product Description
Catalog Number:
AG00047P
Chemical Name:
2-Heptenenitrile, 7-bromo-2-methoxy-, (Z)- (9CI)
CAS Number:
101324-10-1
Molecular Formula:
C8H12BrNO
Molecular Weight:
218.0910
IUPAC Name:
7-bromo-2-methoxyhept-2-enenitrile
InChI:
InChI=1S/C8H12BrNO/c1-11-8(7-10)5-3-2-4-6-9/h5H,2-4,6H2,1H3
InChI Key:
CTJNVVFHHJQUOS-UHFFFAOYSA-N
SMILES:
CO/C(=C\CCCCBr)/C#N
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.01g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.094g/mol
Monoisotopic Mass:
217.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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