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873373-81-0 | Benzene, 1-(bromomethyl)-2,5-difluoro-4-methoxy-
CAS No: 873373-81-0 Catalog No: AG004HOA MDL No:
Product Description
Catalog Number:
AG004HOA
Chemical Name:
Benzene, 1-(bromomethyl)-2,5-difluoro-4-methoxy-
CAS Number:
873373-81-0
Molecular Formula:
C8H7BrF2O
Molecular Weight:
237.0414
IUPAC Name:
1-(bromomethyl)-2,5-difluoro-4-methoxybenzene
InChI:
InChI=1S/C8H7BrF2O/c1-12-8-3-6(10)5(4-9)2-7(8)11/h2-3H,4H2,1H3
InChI Key:
QDZHHAGHCLWYBZ-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(cc1F)CBr
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.044g/mol
Monoisotopic Mass:
235.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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