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1375997-08-2 | Benzenemethanamine, 3-bromo-2-methoxy-, hydrochloride (1:1)
CAS No: 1375997-08-2 Catalog No: AG0013LJ MDL No:MFCD11045218
Product Description
Catalog Number:
AG0013LJ
Chemical Name:
Benzenemethanamine, 3-bromo-2-methoxy-, hydrochloride (1:1)
CAS Number:
1375997-08-2
Molecular Formula:
C8H11BrClNO
Molecular Weight:
252.5360
MDL Number:
MFCD11045218
IUPAC Name:
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
InChI:
InChI=1S/C8H10BrNO.ClH/c1-11-8-6(5-10)3-2-4-7(8)9;/h2-4H,5,10H2,1H3;1H
InChI Key:
SKMDIBQGWFWHGU-UHFFFAOYSA-N
SMILES:
COc1c(CN)cccc1Br.Cl
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.971g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.536g/mol
Monoisotopic Mass:
250.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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