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138619-85-9 | 2-Hepten-1-ol, 2-bromo-, (Z)- (9CI)
CAS No: 138619-85-9 Catalog No: AG0018W7 MDL No:
Product Description
Catalog Number:
AG0018W7
Chemical Name:
2-Hepten-1-ol, 2-bromo-, (Z)- (9CI)
CAS Number:
138619-85-9
Molecular Formula:
C7H13BrO
Molecular Weight:
193.0815
IUPAC Name:
2-bromohept-2-en-1-ol
InChI:
InChI=1S/C7H13BrO/c1-2-3-4-5-7(8)6-9/h5,9H,2-4,6H2,1H3
InChI Key:
LRAMUFJXLBKJOI-UHFFFAOYSA-N
SMILES:
CCCC/C=C(/CO)\Br
Properties
Complexity:
88.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.015g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.084g/mol
Monoisotopic Mass:
192.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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