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887581-09-1 | Benzenemethanamine,2-bromo-5-methoxy-
CAS No: 887581-09-1 Catalog No: AG004CFS MDL No:MFCD07786684
Product Description
Catalog Number:
AG004CFS
Chemical Name:
Benzenemethanamine,2-bromo-5-methoxy-
CAS Number:
887581-09-1
Molecular Formula:
C8H10BrNO
Molecular Weight:
216.0751
MDL Number:
MFCD07786684
IUPAC Name:
(2-bromo-5-methoxyphenyl)methanamine
InChI:
InChI=1S/C8H10BrNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,5,10H2,1H3
InChI Key:
PWFPLVSPVFJSSZ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)CN)Br
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.078g/mol
Monoisotopic Mass:
214.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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