Name: Name:Benzoic acid, 2-[(2-chloro-5-nitro-4-pyrimidinyl)methylamino]-, methylester
Brand: Angene
SKU: AG00FC0C
Rating: 90 (10 reviews)

Benzoic acid, 2-[(2-chloro-5-nitro-4-pyrimidinyl)methylamino]-, methylester

CAS No.:

66427-79-0

Catalog Number:

AG00FC0C

Molecular Formula:

C13H11ClN4O4

Molecular Weight:

322.7038

Catalog Number:

AG00FC0C

Chemical Name:

Benzoic acid, 2-[(2-chloro-5-nitro-4-pyrimidinyl)methylamino]-, methylester

CAS Number:

66427-79-0

Molecular Formula:

C13H11ClN4O4

Molecular Weight:

322.7038

MDL Number:

MFCD22124557

IUPAC Name:

methyl 2-[(2-chloro-5-nitropyrimidin-4-yl)-methylamino]benzoate

InChI:

InChI=1S/C13H11ClN4O4/c1-17(9-6-4-3-5-8(9)12(19)22-2)11-10(18(20)21)7-15-13(14)16-11/h3-7H,1-2H3

InChI Key:

QEVYSBDKFUBZPU-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccccc1N(c1nc(Cl)ncc1[N+](=O)[O-])C

Complexity:

419

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

322.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

322.705g/mol

Monoisotopic Mass:

322.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9