Home Halogens Carbamic acid, N-[(chloroamino)[(methoxycarbonyl)amino]methylene]-, methyl ester

Carbamic acid, N-[(chloroamino)[(methoxycarbonyl)amino]methylene]-, methyl ester

CAS No.:
1596379-00-8
Catalog Number:
AG00ARW6
Molecular Formula:
C5H8ClN3O4
Molecular Weight:
209.5877
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Product Description
Catalog Number:
AG00ARW6
Chemical Name:
Carbamic acid, N-[(chloroamino)[(methoxycarbonyl)amino]methylene]-, methyl ester
CAS Number:
1596379-00-8
Molecular Formula:
C5H8ClN3O4
Molecular Weight:
209.5877
MDL Number:
MFCD28016343
IUPAC Name:
methyl N-(N'-chloro-N-methoxycarbonylcarbamimidoyl)carbamate
InChI:
InChI=1S/C5H8ClN3O4/c1-12-4(10)7-3(9-6)8-5(11)13-2/h1-2H3,(H2,7,8,9,10,11)
InChI Key:
PCUVYBUDIWDLNI-UHFFFAOYSA-N
SMILES:
COC(=O)NC(=NCl)NC(=O)OC
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.586g/mol
Monoisotopic Mass:
209.02g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties