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1312764-26-3 | Carbamic acid, N-(4-formyl-2-pyrimidinyl)-, phenylmethyl ester
CAS No: 1312764-26-3 Catalog No: AG000VU3 MDL No:
Product Description
Catalog Number:
AG000VU3
Chemical Name:
Carbamic acid, N-(4-formyl-2-pyrimidinyl)-, phenylmethyl ester
CAS Number:
1312764-26-3
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
IUPAC Name:
benzyl N-(4-formylpyrimidin-2-yl)carbamate
InChI:
InChI=1S/C13H11N3O3/c17-8-11-6-7-14-12(15-11)16-13(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15,16,18)
InChI Key:
NWEWWVVTXKIXBW-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc(n1)NC(=O)OCc1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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