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152120-54-2 | N,N-Bis-Boc-1-Guanylpyrazole
CAS No: 152120-54-2 Catalog No: AG0035B1 MDL No:MFCD01075122
Product Description
Catalog Number:
AG0035B1
Chemical Name:
N,N-Bis-Boc-1-Guanylpyrazole
CAS Number:
152120-54-2
Molecular Formula:
C14H22N4O4
Molecular Weight:
310.3489
MDL Number:
MFCD01075122
IUPAC Name:
tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate
InChI:
InChI=1S/C14H22N4O4/c1-13(2,3)21-11(19)16-10(18-9-7-8-15-18)17-12(20)22-14(4,5)6/h7-9H,1-6H3,(H,16,17,19,20)
InChI Key:
QFNFDHNZVTWZED-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(=NC(=O)OC(C)(C)C)n1cccn1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
310.164g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.354g/mol
Monoisotopic Mass:
310.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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