AG00384Q

269411-71-4 | 3-Amino-5-methoxybenzonitrile

AG00384Q

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CAS Number	269411-71-4
Catalog Number	AG00384Q(AGN-PC-0NABOF)
Chemical Name	3-Amino-5-methoxybenzonitrile
IUPAC Name	3-amino-5-methoxybenzonitrile
InChI	InChI=1S/C8H8N2O/c1-11-8-3-6(5-9)2-7(10)4-8/h2-4H,10H2,1H3
InChI Key	FFTOQOKMASMDFH-UHFFFAOYSA-N
MDL Number	MFCD18389726
Molecular Formula	C8H8N2O
Molecular Weight	148.1619
SMILES	NC=1C=C(C#N)C=C(C1)OC
Synonyms	3-Amino-5-methoxybenzonitrile, 269411-71-4, Benzonitrile, 3-amino-5-methoxy-, AK103503, 3-amino-5-methoxy-benzonitrile, SCHEMBL3344571, CTK8C0476, Benzonitrile,3-amino-5-methoxy-, DTXSID00444602, FFTOQOKMASMDFH-UHFFFAOYSA-N, KS-000001DW, 2469AB, ANW-64734, FCH936751, MFCD18389726, ZINC13352648, AKOS006337279, DS-4124, QC-5342, ACM269411714, AJ-63709, AB0072558, AX8235042, TC-153479, C8H8N2O, Benzonitrile, 3-amino-5-methoxy- (9CI), CID10773122,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.064g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	148.165g/mol
Monoisotopic Mass	148.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	59A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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