AG006ZBE

4316-94-3 | 6-Chloro-5-nitropyrimidin-4-amine

AG006ZBE

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CAS Number	4316-94-3
Catalog Number	AG006ZBE(AGN-PC-0JLCO7)
Chemical Name	6-Chloro-5-nitropyrimidin-4-amine
IUPAC Name	6-chloro-5-nitropyrimidin-4-amine
InChI	InChI=1S/C4H3ClN4O2/c5-3-2(9(10)11)4(6)8-1-7-3/h1H,(H2,6,7,8)
InChI Key	BWLOHIMQWHFSQF-UHFFFAOYSA-N
MDL Number	MFCD00127772
Molecular Formula	C4H3ClN4O2
Molecular Weight	174.5452
NSC Number	401941
SMILES	C1=NC(=C([N+]([O-])=O)C(=N1)N)Cl
Synonyms	6-chloro-5-nitropyrimidin-4-amine, 4316-94-3, 4-Pyrimidinamine, 6-chloro-5-nitro-, 4-Amino-6-chloro-5-nitropyrimidine, BWLOHIMQWHFSQF-UHFFFAOYSA-N, 6-chloro-5-nitro-pyrimidin-4-ylamine, 6-chloro-5-nitropyrimidine-4-ylamine, NSC401941, AI3-52135, AC1L2QDZ, AC1Q5ADP, SCHEMBL788257, CTK4I7128, KS-00000HDE, DTXSID60195749, 6-chloro-5-nitro-4-pyrimidinamine, 5-Nitro-6-chloro-4-pyrimidinamine, ZINC3866077, 4-Amino-5-nitro-6-chloropyrimidine, 4-Pyrimidinamine,6-chloro-5-nitro-, ANW-50703, MFCD00127772, SBB039457, AKOS000267491, 6-chloranyl-5-nitro-pyrimidin-4-amine, AB03546, CC-1699, CS-W002393, GS-5756, MCULE-4102679905, NSC-401941, QC-5648, RP23661, SDCCGMLS-0065583.P001, AJ-46294, AK-24908, BR-24908, CJ-10974, Pyrimidine, 4-amino-6-chloro-5-nitro-,, SC-49417, SY026083, AB0024903, DB-050760, ST2412325, TR-016787, 4CH-001415, FT-0647851, ST50160419, W6263, MFCD00127772 (95%), S-5381, A826196, J-518601, F1386-0156, C4H3ClN4O2, C4-H3-Cl-N4-O2, AR-1H1352, CID101229, ACN-052511, 1-tert-butyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate, 46941-76-8,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.994g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.544g/mol
Monoisotopic Mass	173.994g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	97.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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