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102339-11-7 | 1H-Tetrazole-1-carboxamide, 5-amino-N-(2-chloroethyl)-
CAS No: 102339-11-7 Catalog No: AG00078G MDL No:
Product Description
Catalog Number:
AG00078G
Chemical Name:
1H-Tetrazole-1-carboxamide, 5-amino-N-(2-chloroethyl)-
CAS Number:
102339-11-7
Molecular Formula:
C4H7ClN6O
Molecular Weight:
190.5910
IUPAC Name:
5-amino-N-(2-chloroethyl)tetrazole-1-carboxamide
InChI:
InChI=1S/C4H7ClN6O/c5-1-2-7-4(12)11-3(6)8-9-10-11/h1-2H2,(H,7,12)(H2,6,8,10)
InChI Key:
ADOXSTLMWXMWLZ-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)n1nnnc1N
NSC Number:
160180
Properties
Complexity:
166
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:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.591g/mol
Monoisotopic Mass:
190.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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