AG00302Y

3042-22-6 | 1H-Pyrrole, 2-phenyl-

AG00302Y

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CAS Number	3042-22-6
Catalog Number	AG00302Y(AGN-PC-03F8KQ)
Chemical Name	1H-Pyrrole, 2-phenyl-
IUPAC Name	2-phenyl-1H-pyrrole
InChI	InChI=1S/C10H9N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8,11H
InChI Key	IRTLROCMFSDSNF-UHFFFAOYSA-N
MDL Number	MFCD00963556
Molecular Formula	C10H9N
Molecular Weight	143.1852
NSC Number	94963
SMILES	C1(=CC=CC=C1)C=1NC=CC1
UNII	SKE60YK8AW
Synonyms	2-Phenyl-1H-pyrrole, 3042-22-6, 2-Phenylpyrrole, 1H-Pyrrole, 2-phenyl-, 2-PHENYL-PYRROLE, Pyrrole, 2-phenyl-, phenylpyrrole, 1H-Pyrrole, 2-phenyl- (9CI), UNII-SKE60YK8AW, NSC 94963, SKE60YK8AW, BRN 0110978, IRTLROCMFSDSNF-UHFFFAOYSA-N, phenyl-azole, NSC94963, 2-phenyl-1H-pyrrol, AC1L2IWW, 2-Phenyl-1H-pyrrole #, SCHEMBL80142, 5-20-07-00369 (Beilstein Handbook Reference), SCHEMBL12759533, CTK1C3277, KS-00000QFQ, DTXSID40184510, ZINC967488, 3184AB, ANW-66127, MFCD00963556, NSC-94963, SBB086291, AKOS005266807, AKOS025394611, CS-W008503, AJ-24516, AK-84792, DS-17556, SY122110, ZB015447, AB0076877, DB-008229, LS-136993, TC-154872, FT-0691840, ST24041001, MFCD00963556 (95%), X-1671, AI-942/25034739, InChI=1/C10H9N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8,11, C10H9N, C10-H9-N, CID72898,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	143.073g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	143.189g/mol
Monoisotopic Mass	143.073g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	15.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P280-P305+P351+P338-P310
Siginal words	unknown

Certificate of Analysis

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