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102433-71-6 | Urea, N-(2-chloroethyl)-N'-2H-tetrazol-5-yl-
CAS No: 102433-71-6 Catalog No: AG0007HJ MDL No:
Product Description
Catalog Number:
AG0007HJ
Chemical Name:
Urea, N-(2-chloroethyl)-N'-2H-tetrazol-5-yl-
CAS Number:
102433-71-6
Molecular Formula:
C4H7ClN6O
Molecular Weight:
190.5910
IUPAC Name:
1-(2-chloroethyl)-3-(2H-tetrazol-5-yl)urea
InChI:
InChI=1S/C4H7ClN6O/c5-1-2-6-4(12)7-3-8-10-11-9-3/h1-2H2,(H3,6,7,8,9,10,11,12)
InChI Key:
ZSZMIWBEVPLYTC-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1n[nH]nn1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.591g/mol
Monoisotopic Mass:
190.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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