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113661-09-9 | 2-Buten-1-ol, 4-bromo-, (2E)-
CAS No: 113661-09-9 Catalog No: AG00098T MDL No:
Product Description
Catalog Number:
AG00098T
Chemical Name:
2-Buten-1-ol, 4-bromo-, (2E)-
CAS Number:
113661-09-9
Molecular Formula:
C4H7BrO
Molecular Weight:
151.0018
IUPAC Name:
(E)-4-bromobut-2-en-1-ol
InChI:
InChI=1S/C4H7BrO/c5-3-1-2-4-6/h1-2,6H,3-4H2/b2-1+
InChI Key:
PTRKJGCSYLKEIK-OWOJBTEDSA-N
SMILES:
OC/C=C/CBr
Properties
Complexity:
42.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
149.968g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.003g/mol
Monoisotopic Mass:
149.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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