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1261448-82-1 | Benzenemethanamine, 4-bromo-3-methoxy-
CAS No: 1261448-82-1 Catalog No: AG000RRB MDL No:MFCD18391890
Product Description
Catalog Number:
AG000RRB
Chemical Name:
Benzenemethanamine, 4-bromo-3-methoxy-
CAS Number:
1261448-82-1
Molecular Formula:
C8H10BrNO
Molecular Weight:
216.0751
MDL Number:
MFCD18391890
IUPAC Name:
(4-bromo-3-methoxyphenyl)methanamine
InChI:
InChI=1S/C8H10BrNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,5,10H2,1H3
InChI Key:
RILRYVOMGCXQPY-UHFFFAOYSA-N
SMILES:
COc1cc(CN)ccc1Br
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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