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102236-13-5 | Benzenamine, 3-bromo-4-methoxy-N,N-dimethyl-
CAS No: 102236-13-5 Catalog No: AG0006Z6 MDL No:
Product Description
Catalog Number:
AG0006Z6
Chemical Name:
Benzenamine, 3-bromo-4-methoxy-N,N-dimethyl-
CAS Number:
102236-13-5
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
IUPAC Name:
3-bromo-4-methoxy-N,N-dimethylaniline
InChI:
InChI=1S/C9H12BrNO/c1-11(2)7-4-5-9(12-3)8(10)6-7/h4-6H,1-3H3
InChI Key:
ZPTYNMDNRYYQSI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Br)N(C)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.105g/mol
Monoisotopic Mass:
229.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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