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4392-24-9 | (3-Bromoprop-1-en-1-yl);benzene
CAS No: 4392-24-9 Catalog No: AG003OWW MDL No:MFCD00000245
Product Description
Catalog Number:
AG003OWW
Chemical Name:
(3-Bromoprop-1-en-1-yl);benzene
CAS Number:
4392-24-9
Molecular Formula:
C9H9Br
Molecular Weight:
197.0718
MDL Number:
MFCD00000245
IUPAC Name:
[(E)-3-bromoprop-1-enyl]benzene
InChI:
InChI=1S/C9H9Br/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
InChI Key:
RUROFEVDCUGKHD-QPJJXVBHSA-N
SMILES:
BrC/C=C/c1ccccc1
EC Number:
224-511-5
NSC Number:
78446
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
195.989g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.075g/mol
Monoisotopic Mass:
195.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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