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174913-11-2 | Benzene, 1-bromo-2-chloro-3-methoxy-
CAS No: 174913-11-2 Catalog No: AG00201Y MDL No:MFCD16036127
Product Description
Catalog Number:
AG00201Y
Chemical Name:
Benzene, 1-bromo-2-chloro-3-methoxy-
CAS Number:
174913-11-2
Molecular Formula:
C7H6BrClO
Molecular Weight:
221.4789
MDL Number:
MFCD16036127
IUPAC Name:
1-bromo-2-chloro-3-methoxybenzene
InChI:
InChI=1S/C7H6BrClO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChI Key:
XOZKQZFQBFNXPW-UHFFFAOYSA-N
SMILES:
COc1cccc(c1Cl)Br
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.929g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.478g/mol
Monoisotopic Mass:
219.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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