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88465-72-9 | Urea, N'-[4-(bromomethyl)phenyl]-N-methoxy-N-methyl-
CAS No: 88465-72-9 Catalog No: AG004BUE MDL No:
Product Description
Catalog Number:
AG004BUE
Chemical Name:
Urea, N'-[4-(bromomethyl)phenyl]-N-methoxy-N-methyl-
CAS Number:
88465-72-9
Molecular Formula:
C10H13BrN2O2
Molecular Weight:
273.1264
IUPAC Name:
3-[4-(bromomethyl)phenyl]-1-methoxy-1-methylurea
InChI:
InChI=1S/C10H13BrN2O2/c1-13(15-2)10(14)12-9-5-3-8(7-11)4-6-9/h3-6H,7H2,1-2H3,(H,12,14)
InChI Key:
CGJFTGNQTNORIZ-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)NC(=O)N(OC)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.016g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.13g/mol
Monoisotopic Mass:
272.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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