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57310-39-1 | Benzene, 2-bromo-1-chloro-4-methyl-
CAS No: 57310-39-1 Catalog No: AG00IA7P MDL No:MFCD00079710
Product Description
Catalog Number:
AG00IA7P
Chemical Name:
Benzene, 2-bromo-1-chloro-4-methyl-
CAS Number:
57310-39-1
Molecular Formula:
C7H6BrCl
Molecular Weight:
205.4795
MDL Number:
MFCD00079710
IUPAC Name:
2-bromo-1-chloro-4-methylbenzene
InChI:
InChI=1S/C7H6BrCl/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChI Key:
UWXPTVKKHVOZLJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)Cl
NSC Number:
139876
Properties
Complexity:
94.9
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:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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