AG00DHYI

5344-44-5 | 3-chloro-5-nitro-aniline

AG00DHYI

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CAS Number	5344-44-5
Catalog Number	AG00DHYI(AGN-PC-0JN9OG)
Chemical Name	3-chloro-5-nitro-aniline
IUPAC Name	3-chloro-5-nitroaniline
InChI	InChI=1S/C6H5ClN2O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,8H2
InChI Key	RXAFMJXGEACRGX-UHFFFAOYSA-N
MDL Number	MFCD01009865
Molecular Formula	C6H5ClN2O2
Molecular Weight	172.5691
NSC Number	1117
SMILES	NC1=CC(Cl)=CC(=C1)[N+]([O-])=O
Synonyms	3-chloro-5-nitroaniline, 5344-44-5, 3-CHLORO-5-NITRO-ANILINE, Aniline, 3-chloro-5-nitro-, Benzenamine, 3-chloro-5-nitro-, NSC1117, AC1Q3LJ3, aniline,3-chloro-5-nitro-, AC1L574L, Benzenamine,3-chloro-5-nitro-, SCHEMBL1532381, CTK4J8004, KS-00000PNU, DTXSID00277199, RXAFMJXGEACRGX-UHFFFAOYSA-N, BCP20576, NSC-1117, ZINC1587863, 7604AB, ANW-71496, MFCD01009865, AKOS016007419, CS-W007288, AJ-27641, AK-81008, DS-16094, TX-013340, C6H5ClN2O2, AR-1H7364, CID219615, 5933-28-8,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.004g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.568g/mol
Monoisotopic Mass	172.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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