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1319-96-6 | Urea, N'-(chlorobicyclo[2.2.1]hept-2-yl)-N,N-dimethyl- (9CI)
CAS No: 1319-96-6 Catalog No: AG000ZW9 MDL No:
Product Description
Catalog Number:
AG000ZW9
Chemical Name:
Urea, N'-(chlorobicyclo[2.2.1]hept-2-yl)-N,N-dimethyl- (9CI)
CAS Number:
1319-96-6
Molecular Formula:
C10H17ClN2O
Molecular Weight:
216.7078
IUPAC Name:
3-(1-chloro-2-bicyclo[2.2.1]heptanyl)-1,1-dimethylurea
InChI:
InChI=1S/C10H17ClN2O/c1-13(2)9(14)12-8-5-7-3-4-10(8,11)6-7/h7-8H,3-6H2,1-2H3,(H,12,14)
InChI Key:
IOTJCXDKKQNRQS-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)NC1CC2CC1(Cl)CC2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.103g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.709g/mol
Monoisotopic Mass:
216.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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