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578-51-8 | 1-Bromo-2-(chloromethyl)benzene
CAS No: 578-51-8 Catalog No: AG003E2L MDL No:MFCD00040863
Product Description
Catalog Number:
AG003E2L
Chemical Name:
1-Bromo-2-(chloromethyl)benzene
CAS Number:
578-51-8
Molecular Formula:
C7H6BrCl
Molecular Weight:
205.4795
MDL Number:
MFCD00040863
IUPAC Name:
1-bromo-2-(chloromethyl)benzene
InChI:
InChI=1S/C7H6BrCl/c8-7-4-2-1-3-6(7)5-9/h1-4H,5H2
InChI Key:
DDVSFIUKWUTKES-UHFFFAOYSA-N
SMILES:
ClCc1ccccc1Br
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.934g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.479g/mol
Monoisotopic Mass:
203.934g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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